SCHEMBL13633781

SCHEMBL13633781

O=C(Nc1ccc(N2C(=O)Cc3cc(CCCCN4CCCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.37
KCNH2 Q12809 1/20 0.35
RORC P51449 1/20 0.35
HTR3A P46098 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TERT O14746 4/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL9922609 0.90 KCNH2 (0.38) HRH3KCNH2RORCHTR3AALDH1A1
SCHEMBL9922832 0.90 KCNH2 (0.37) HRH3KCNH2RORCHTR3AALDH1A1
SCHEMBL9923249 0.89 RORC (0.37) HRH3RORCALDH1A1MAPK1MEN1
SCHEMBL9923251 0.88 RORC (0.37) RORCALDH1A1MAPK1MEN1LMNA
SCHEMBL9922389 0.84 MAPT (0.43) KCNH2RORCALDH1A1MAPK1MEN1
SCHEMBL9922836 0.84 MAPK14 (0.41) KCNH2MEN1KMT2A
SCHEMBL14228354 0.82 KMT2A (0.39) RORCALDH1A1MAPK1MEN1LMNA
SCHEMBL9923250 0.82 MAPK14 (0.44) KMT2A
SCHEMBL9922960 0.82 KMT2A (0.40) RORCALDH1A1MAPK1MEN1LMNA
SCHEMBL9922959 0.82 PTGER3 (0.41) RORCALDH1A1MAPK1MEN1LMNA

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-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed
US-7622474-B2 Asulfonyl(urea, thiourea, guanidine, cyanoguanidine) compounds; cardiovascular disorders; thrombosis PORTOLA PHARMACEUTICALS, INC. (US) 2009-11-24 US disclosed