SCHEMBL13913996

SCHEMBL13913996

COc1cc(-c2c(C#N)c(N)nc(SCCCO)c2C#N)cc(O)c1OC

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ USP2 O75604 1/20 0.59
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ POLB P06746 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ HPGD P15428 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ ADORA1 P30542 18/20 0.57
▸ ADORA2B P29275 1/20 0.48
▸ HTT P42858 1/20 0.47

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
SCHEMBL13913992 0.94 ADORA1 (0.64) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13914048 0.92 ADORA1 (0.60) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13914089 0.90 ADORA1 (0.62) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913998 0.89 KDM4E (0.60) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913999 0.89 KDM4E (0.55) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913930 0.87 ADORA1 (0.63) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913915 0.87 ADORA1 (0.63) KDM4ENPSR1ADORA1ADORA2BHTT
SCHEMBL13913863 0.85 ADORA1 (0.66) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913995 0.85 KDM4E (0.57) KDM4ENPSR1USP2ALDH1A1LMNA
SCHEMBL13913994 0.84 KDM4E (0.59) KDM4ENPSR1USP2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504421-B2 Substituted 2-thio-3,5-dicyano-4-aryl-6-aminopyridines and their use BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
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