SCHEMBL13638566

SCHEMBL13638566

CNc1ccc2c(=O)n(-c3ccc(NC(=O)NS(=O)(=O)c4cccs4)cc3F)cc(C)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
LMNA P02545 4/20 0.45
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.40
CA12 O43570 6/20 0.38
CA9 Q16790 6/20 0.38
MAPT P10636 3/20 0.38
P2RY12 Q9H244 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 2/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
PTGER3 P43115 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN5A Q14524 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
SCHEMBL9922190 0.92 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL12161591 0.92 KMT2A (0.40) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9922204 0.90 KMT2A (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL12161583 0.90 KMT2A (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9922611 0.90 KMT2A (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9922215 0.90 SCN5A (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9922612 0.90 KMT2A (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL12161587 0.90 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL12161586 0.89 MEN1 (0.38) MEN1KMT2ALMNAALDH1A1TSHR
SCHEMBL9922198 0.88 MEN1 (0.39) MEN1KMT2ALMNAALDH1A1TSHR

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