SCHEMBL13633758

SCHEMBL13633758

O=C(Nc1ccc(N2C(=O)Cc3cc(NCC4CC4)c(Br)cc3C2=O)c(F)c1)NS(=O)(=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
POLB P06746 2/20 0.34
HPGD P15428 2/20 0.33
RORC P51449 1/20 0.33
TBXA2R P21731 1/20 0.33
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 1/20 0.32
APOB P04114 1/20 0.32
MTTP P55157 1/20 0.32
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 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) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922385 0.89 KMT2A (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922366 0.84 KMT2A (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922383 0.83 KMT2A (0.41) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922958 0.82 PTGER3 (0.42) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL14228358 0.82 KMT2A (0.39) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922396 0.82 KMT2A (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922388 0.82 CA2 (0.42) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL9922175 0.81 KMT2A (0.38) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL13638607 0.81 MEN1 (0.42) LMNAALDH1A1MAPTMEN1KMT2A

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