SCHEMBL44366

SCHEMBL44366

O=[N+]([O-])c1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.76
LOXL2 Q9Y4K0 1/20 0.67
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
TSHR P16473 1/20 0.61
IDO1 P14902 2/20 0.59
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 1/20 0.58
MEN1 O00255 1/20 0.58
MAPT P10636 1/20 0.58
KMT2A Q03164 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
CYP2C19 P33261 3/20 0.57
HSD17B10 Q99714 2/20 0.54
ACHE P22303 1/20 0.54
RECQL P46063 1/20 0.54
CYP1A2 P05177 2/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8087428 1.00 POLB (0.76) POLBLOXL2CA12CA1CA2
SCHEMBL8094050 1.00 POLB (0.76) POLBLOXL2CA12CA1CA2
SCHEMBL8094543 0.93 POLB (0.68) POLBLOXL2CA12CA1CA2
SCHEMBL267666 0.91 ALDH1A1 (0.70) POLBLOXL2CA12CA1CA2
SCHEMBL14263355 0.89 POLB (0.63) POLBLOXL2CA12CA1CA2
SCHEMBL1644518 0.89 POLB (0.63) POLBLOXL2CA12CA1CA2
SCHEMBL4687550 0.89 LOXL2 (0.88) POLBLOXL2CA12CA1CA2
SCHEMBL10915611 0.89 POLB (0.63) POLBLOXL2CA12CA1CA2
SCHEMBL9136851 0.89 POLB (0.63) POLBLOXL2CA12CA1CA2
SCHEMBL4686835 0.89 POLB (0.63) POLBLOXL2CA12CA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 3366 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991655-B1 COMPOSITIONS AND METHODS FOR ALTERING SECOND MESSENGER SIGNALING MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2024-04-10 EP claimed
EP-3606906-B1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2023-12-27 EP claimed
EP-3606528-B1 TRICYCLIC COMPOUNDS AS GLYCOGEN SYNTHASE KINASE 3 (GSK3) INHIBITORS AND USES THEREOF BROAD INST INC (US) 2023-10-18 EP claimed
EP-3649135-B1 SYNTHESIS OF HALICHONDRINS HARVARD COLLEGE (US) 2022-12-28 EP claimed
US-11512046-B2 Heterogeneous catalysts for the direct carbonylation of nitro aromatic compounds to isocyanates BASF SE 2022-11-29 US claimed
US-11241435-B2 Uses of salt-inducible kinase (SIK) inhibitors for treating osteoporosis THE GENERAL HOSPITAL CORPORATION (US) 2022-02-08 US claimed
EP-3092220-B1 VITAMIN C PRODRUGS AND USES THEREOF UNIV FLORIDA (US) 2021-01-20 EP claimed
US-20210002210-A1 HETEROGENEOUS CATALYSTS FOR THE DIRECT CARBONYLATION OF NITRO AROMATIC COMPOUNDS TO ISOCYANATES BASF SE (DE) 2021-01-07 US claimed
US-10870651-B2 Inhibitors of cyclin-dependent kinase 7 (CDK7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-22 US claimed
EP-3171874-B1 IMIDAZOLYL KINASE INHIBITORS AND USES THEREOF DANA FARBER CANCER INST INC (US) 2020-11-18 EP claimed
EP-0157828-A4 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1987-01-22 EP claimed
US-4629804-A Process for preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-12-16 US claimed
WO-1986005178-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
WO-1986005179-A1 CARBONYLATION PROCESS CATALYTICA ASSOCIATES (US) 1986-09-12 WO claimed
US-4603216-A RUTHENIUM-PHOSPHINE CATALYST CATALYTICA ASSOCIATES (US) 1986-07-29 US claimed
US-4600793-A Process for the preparation of urethanes CATALYTICA ASSOCIATES (US) 1986-07-15 US claimed
EP-0157828-A1 PROCESS FOR THE PREPARATION OF URETHANES. CATALYTICA ASSOCIATES (US) 1985-10-16 EP claimed
WO-1985001285-A1 PROCESS FOR THE PREPARATION OF URETHANES CATALYTICA ASSOCIATES (US) 1985-03-28 WO claimed
US-4178455-A FROM AROMATIC NITRO COMPOUND, ALCOHOL AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-12-11 US claimed
US-4170708-A FROM AN AROMATIC NITRO COMPOUND, AN ALCOHOL, AND CARBON MONOXIDE MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1979-10-09 US claimed