SCHEMBL13638607

SCHEMBL13638607

Cc1ccc2c(c1)C(=O)N(c1ccc(NC(=O)NS(=O)(=O)c3cccs3)cc1F)C(=O)C2

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.42
KMT2A Q03164 6/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
KCNA1 Q09470 4/20 0.39
KCNAB1 Q14722 4/20 0.39
HPGD P15428 2/20 0.38
GRM1 Q13255 4/20 0.37
RORC P51449 1/20 0.37
TSHR P16473 1/20 0.37
GRM4 Q14833 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.36
APOB P04114 1/20 0.36
MTTP P55157 1/20 0.36

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
SCHEMBL9922383 0.92 KMT2A (0.41) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL14228358 0.91 KMT2A (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9922958 0.91 PTGER3 (0.42) MEN1KMT2AALDH1A1LMNAKCNA1
SCHEMBL12177244 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1LMNAKCNA1
SCHEMBL9922366 0.90 KMT2A (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9922175 0.90 KMT2A (0.38) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9922950 0.90 KMT2A (0.43) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL12161564 0.90 PTGER1 (0.39) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL9922367 0.90 ALDH1A1 (0.45) MEN1KMT2AALDH1A1LMNAKCNA1
SCHEMBL9922398 0.89 MEN1 (0.40) MEN1KMT2AALDH1A1LMNARORC

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