SCHEMBL9535857

SCHEMBL9535857

CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC4=C(C3)C(NC)CC4)nc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.60
CYP2C9 P11712 1/20 0.60
ATP6V1B2 P21281 1/20 0.60
TBXA2R P21731 1/20 0.60
EDNRA P25101 1/20 0.60
TARBP2 Q15633 1/20 0.60
KMT2A Q03164 3/20 0.42
DPP4 P27487 4/20 0.42
CHRM2 P08172 1/20 0.42
DRD1 P21728 1/20 0.42
KDM4E B2RXH2 5/20 0.42
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 4/20 0.42
HTT P42858 2/20 0.42
POLB P06746 1/20 0.42
XBP1 P17861 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL9535029 0.88 LMNA (0.61) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9534960 0.87 DPP4 (0.55) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9535484 0.83 DRD3 (0.59) LMNAKMT2AKDM4EHSD17B10ALDH1A1
SCHEMBL9535876 0.81 KDM4E (0.48) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11165875 0.80 LMNA (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
Hydrochloric Acid SCHEMBL10658429 0.79 LMNA (0.66) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL9437338 0.78 LMNA (0.67) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL11153426 0.78 LMNA (0.82) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10677290 0.77 LMNA (0.71) LMNACYP2C9ATP6V1B2TBXA2REDNRA
SCHEMBL10028900 0.77 LMNA (0.81) LMNACYP2C9ATP6V1B2TBXA2REDNRA

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

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993013090-A1 NOVEL QUINOLONE CARBOXYLIC ACID DERIVATIVES AND PROCESSES FOR PREPARING SAME HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-08 WO disclosed
EP-0549857-A1 Antibacterial quinolone carboxylic acid derivatives KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed
EP-0550019-A2 Novel quinolone carboxylic acid derivatives and processes for preparing same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-07-07 EP disclosed