SCHEMBL6163419

SCHEMBL6163419

CCOC(=O)N(C)Cc1ccc(C#N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.58
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
CYP2A6 P11509 1/20 0.44
TSHR P16473 3/20 0.43
POLB P06746 2/20 0.43
RAB9A P51151 2/20 0.43
CHRNB2 P17787 2/20 0.42
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRNA4 P43681 2/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL12162097 0.83 NSD2 (0.53) NSD2SMN1; SMN2TSHRRAB9ACHRNB2
SCHEMBL19049393 0.83 NSD2 (0.58) NSD2SMN1; SMN2ALDH1A1KDM4ECYP2A6
SCHEMBL7233237 0.81 NSD2 (0.53) NSD2CYP2A6TSHRPOLBRAB9A
SCHEMBL5118098 0.80 NSD2 (0.63) NSD2CYP2A6POLBRAB9AKMT2A
SCHEMBL19002498 0.80 NSD2 (0.56) NSD2SMN1; SMN2ALDH1A1KDM4ECYP2A6
SCHEMBL8150501 0.80 ALDH1A1 (0.53) SMN1; SMN2ALDH1A1KDM4EPOLBRAB9A
SCHEMBL5317577 0.79 NSD2 (0.61) NSD2SMN1; SMN2ALDH1A1CYP2A6POLB
SCHEMBL9506390 0.79 RAB9A (0.62) SMN1; SMN2ALDH1A1POLBRAB9ACHRNB2
SCHEMBL5317572 0.78 NSD2 (0.60) NSD2CYP2A6POLBKMT2ATMEM97
SCHEMBL7619436 0.77 NSD2 (0.44) NSD2SMN1; SMN2ALDH1A1CYP2A6TSHR

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-1210335-B1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 EP disclosed
US-6512000-B1 Aminocarbonyl- substituted benzimidazole derivatives for the treatment of diseases in which inhibition of tryptase is of therapeutic such as for treating an inflammatory or allergic disease BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-28 US disclosed
EP-1210335-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-06-05 EP disclosed
WO-2001014342-A1 AMINOCARBONYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVES, METHOD FOR PRODUCING SAME AND THE USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-01 WO disclosed