SCHEMBL13633780

SCHEMBL13633780

O=C(Nc1ccc(N2C(=O)Cc3cc(NCCCC4CCCC4)ccc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 2/20 0.34
GPR119 Q8TDV5 3/20 0.34
NPC1 O15118 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
APOB P04114 1/20 0.33
MTTP P55157 1/20 0.33
HPGD P15428 1/20 0.33
PTGER3 P43115 1/20 0.33
CCKBR P32239 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL9922404 0.89 LMNA (0.39) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9923252 0.88 KMT2A (0.39) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9922832 0.88 KCNH2 (0.37) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9922372 0.88 MEN1 (0.40) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9922609 0.88 KCNH2 (0.38) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL12161567 0.87 MEN1 (0.38) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9922184 0.87 MEN1 (0.40) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9923251 0.86 RORC (0.37) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL9923249 0.86 RORC (0.37) LMNAMEN1ALDH1A1KMT2ARORC
SCHEMBL12161571 0.86 MEN1 (0.38) LMNAMEN1ALDH1A1KMT2ARORC

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