SCHEMBL6159112

SCHEMBL6159112

CC(C)CNc1ccc2c(c1)nc(CCc1ccc(C#N)cc1)n2C

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
NTRK1 P04629 9/20 0.41
NTRK2 Q16620 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.40
CREBBP Q92793 1/20 0.40
TP53 P04637 2/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38

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
SCHEMBL6159720 0.85 ITK (0.46) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL7113060 0.82 RAB9A (0.48) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6982827 0.82 ALDH1A1 (0.53) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6634682 0.81 LMNA (0.53) RAB9ANTRK1NTRK2SMN1; SMN2ALDH1A1
SCHEMBL6159451 0.79 NPC1 (0.42) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6157976 0.78 NPC1 (0.59) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6158462 0.78 NTRK1 (0.52) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6637025 0.77 PAX8 (0.64) RAB9ASMN1; SMN2ALDH1A1HSD17B10BRD4
SCHEMBL6162121 0.75 NTRK1 (0.46) NPC1RAB9ANTRK1NTRK2SMN1; SMN2
SCHEMBL6486632 0.75 F2 (0.50) NPC1RAB9ANTRK1NTRK2SMN1; SMN2

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-1237877-B1 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-07-27 EP disclosed
EP-1237877-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM KG (DE) 2002-09-11 EP disclosed
US-6407130-B1 ANTIALLERGENS, ANTIINFLAMMATORY AND ANTIARTHRITIC AGENTS; RESPIRATORY SYSTEM, GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-06-18 US disclosed
WO-2001034572-A2 CARBOXAMIDE-SUBSTITUTED BENZIMIDAZOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF AND THEIR USE AS TRYPTASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-05-17 WO disclosed