SCHEMBL6562672

SCHEMBL6562672

C=Cc1cc(O)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.61
EGFR P00533 1/20 0.59
NPSR1 Q6W5P4 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GPR35 Q9HC97 1/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40

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
SCHEMBL11216418 0.85 BACE1 (0.49) BACE1EGFRNPSR1RXFP1GPR35
SCHEMBL1014901 0.83 BACE1 (0.63) BACE1EGFRNPSR1RXFP1GPR35
SCHEMBL29953102 0.83 BACE1 (0.63) BACE1EGFRNPSR1RXFP1GPR35
SCHEMBL10831447 0.81 BACE1 (0.61) BACE1EGFRNPSR1RXFP1MAPT
SCHEMBL14564095 0.79 EGFR (0.65) BACE1EGFRNPSR1RXFP1GPR35
SCHEMBL14468256 0.78 BACE1 (0.38) BACE1EGFRGPR35MAPTNPC1
SCHEMBL8653035 0.78 TSHR (0.60) NPSR1GPR35MAPTALDH1A1L3MBTL1
SCHEMBL29880479 0.78 MAPK1 (0.58) BACE1ALDH1A1L3MBTL1TSHR
SCHEMBL16952297 0.78 MAPK1 (0.58) BACE1ALDH1A1L3MBTL1TSHR
SCHEMBL16951426 0.78 ERN1 (0.45) BACE1EGFRMAPTALDH1A1L3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109492-A1 PYRROLOPYRIDAZINE COMPOUNDS AS KINASE INHIBITORS GOSSAMER BIOSERVICES, INC. (US) 2022-05-27 WO disclosed
WO-2020148571-A1 METHOD AND DEVICE FOR ACID- OR BASE CONCENTRATION MEASUREMENT TOMKA IVAN (HU) 2020-07-23 WO disclosed
EP-0996870-B1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY DU PONT (US) 2004-03-24 EP disclosed
US-6319648-B1 USED FOR IMAGING MATERIALS OF SEMICONDUCTOR DEVICE E. I. DU PONT DE NEMOURS AND COMPANY 2001-11-20 US disclosed
EP-0996870-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-05-03 EP disclosed
WO-1999004319-A1 IMPROVED DISSOLUTION INHIBITION RESISTS FOR MICROLITHOGRAPHY E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-01-28 WO disclosed