SCHEMBL6985924

SCHEMBL6985924

CCOCCCn1c(-c2ccc(CC#N)cc2)nc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.45
OPRM1 P35372 2/20 0.44
KDM4E B2RXH2 2/20 0.41
CYP19A1 P11511 1/20 0.41
ALOX5 P09917 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS2 P35354 1/20 0.41
KMT2A Q03164 4/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 3/20 0.40
PPARG P37231 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6986071 0.84 KDM4E (0.50) CNR2KDM4EHSD17B10ALDH1A1SIRT2
SCHEMBL6984235 0.78 CNR2 (0.50) CNR2OPRM1CYP19A1KMT2AMEN1
SCHEMBL6983099 0.77 F2 (0.47) KDM4EHSD17B10SMN1; SMN2LMNAPIN1
SCHEMBL2425654 0.73 CYP19A1 (0.50) KDM4ECYP19A1ALOX5ALOX15PTGS2
SCHEMBL17199219 0.69 MAPT (0.53) KDM4EALOX5ALOX15PTGS2KMT2A
SCHEMBL9216493 0.69 KDM4E (0.55) KDM4ECYP19A1ALOX5ALOX15PTGS2
SCHEMBL20982763 0.68 ALDH1A1 (0.72) KDM4ECYP19A1KMT2AMEN1PPARG
SCHEMBL9213942 0.68 KDM4E (0.71) KDM4ECYP19A1KMT2AMEN1ALDH1A1
SCHEMBL12217716 0.67 ALDH1A1 (0.60) KDM4ECYP19A1KMT2AMEN1PPARG
SCHEMBL2424564 0.67 LMNA (0.56) KDM4ECYP19A1ALOX5ALOX15PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220844-B1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-09 EP disclosed
EP-1220844-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-07-10 EP disclosed
US-6365584-B1 FOR PROPHYLAXIS AND THERAPY OF INFLAMMATORY AND/OR ALLERGIC DISEASES, LUNG FIBROSIS, FIBROSING ALVEOLITIS AND SCARRING, COLLAGENOSES SUCH AS LUPUS ERYTHEMATODES AND SCLERODERMIA AS WELL AS ARTERIOSCLEROSIS, PSORIASIS AND NEOPLASM BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-04-02 US disclosed
WO-2001023360-A1 ARYL SULFONAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES THEREOF AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-05 WO disclosed