SCHEMBL9056629

SCHEMBL9056629

CSc1cc(C)nc(SC)c1NC(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CCCCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 5/20 0.37
USP2 O75604 4/20 0.37
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
UBE2M P61081 4/20 0.35
DCUN1D1 Q96GG9 4/20 0.35
HPGD P15428 2/20 0.35
ALOX15 P16050 1/20 0.35
NPC1 O15118 1/20 0.35
SOAT1 P35610 2/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 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
SCHEMBL8808860 0.92 USP2 (0.43) KMT2AALDH1A1USP2NPSR1LMNA
SCHEMBL8809049 0.92 TP53 (0.42) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL9058046 0.92 UBE2M (0.41) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL8807728 0.92 TP53 (0.42) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL29972806 0.92 TP53 (0.42) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL8808662 0.91 KMT2A (0.38) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL9056568 0.89 KMT2A (0.41) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL8808573 0.86 LPAR1 (0.41) KMT2AMEN1ALDH1A1USP2NPSR1
SCHEMBL8344843 0.85 KDM4E (0.42) ALDH1A1USP2KDM4ECYP1A2CYP3A4
SCHEMBL8856425 0.85 GCGR (0.37) ALDH1A1USP2NPSR1KDM4ECYP1A2

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
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed