SCHEMBL13638583

SCHEMBL13638583

CS(=O)(=O)c1ccc2ncn(-c3ccc(NC(=O)NS(=O)(=O)C4=CCC(Cl)S4)cc3F)c(=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 3/20 0.33
RECQL P46063 2/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
PDE4B Q07343 1/20 0.32
RXFP1 Q9HBX9 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
SCHEMBL14113598 0.83 MAPK14 (0.31) MAPK14
SCHEMBL9922706 0.82 P2RY12 (0.47) MAPK14KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL13638535 0.81 MAPK14 (0.36) MAPK14KMT2AHSD17B10MAPTLMNA
SCHEMBL13638648 0.75 GLA (0.48) KMT2AMAPTALDH1A1LMNA
SCHEMBL14113578 0.74 ESR1 (0.37) MAPK14SMN1; SMN2ATM
SCHEMBL12177063 0.74 P2RY12 (0.32) KMT2AMEN1
SCHEMBL9922350 0.74 P2RY12 (0.45) MAPK14KMT2AMEN1HSD17B10MAPT
SCHEMBL9922157 0.74 P2RY12 (0.42) MAPK14KMT2AMEN1HPGDSMN1; SMN2
SCHEMBL12177061 0.74 KMT2A (0.36) KMT2AMEN1SMN1; SMN2MAPTLMNA
SCHEMBL14228476 0.73 MAPT (0.39) MAPK14KMT2AMEN1SMN1; SMN2RECQL

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 1 patent. 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