SCHEMBL6986071

SCHEMBL6986071

CCOCCCn1c(-c2ccc(CC#N)cc2)nc2cc(N)ccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.43
CNR2 P34972 1/20 0.41
RAD52 P43351 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
PTGER4 P35408 4/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
MYC P01106 1/20 0.37
APOBEC3G Q9HC16 1/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL6985924 0.84 CNR2 (0.45) KDM4EHSD17B10CNR2ALDH1A1SIRT2
SCHEMBL6983099 0.79 F2 (0.47) KDM4EHSD17B10HPGDPTGER4
SCHEMBL11442111 0.75 KDM4E (0.71) KDM4EHTTRAD52TDP1ALDH1A1
SCHEMBL11443284 0.73 KDM4E (0.74) KDM4EHTTHSD17B10RAD52TDP1
SCHEMBL11440211 0.70 KDM4E (0.73) KDM4EHTTHSD17B10RAD52TDP1
SCHEMBL27188330 0.67 KDM4E (0.57) KDM4EHTTHSD17B10RAD52TDP1
SCHEMBL20810772 0.67 MYC (0.44) KDM4EHTTHSD17B10RAD52PTGER4
SCHEMBL17199042 0.66 KDM4E (0.62) KDM4EHTTRAD52TDP1ALDH1A1
SCHEMBL2882835 0.65 KDM4E (0.62) KDM4EHTTRAD52ALDH1A1HPGD
SCHEMBL20982514 0.64 KDM4E (0.68) KDM4EHTTHSD17B10RAD52TDP1

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