SCHEMBL9056568

SCHEMBL9056568

CSc1nc(C)nc(SC)c1NC(=O)N(Cc1ccc(Oc2ccc(Br)cc2)cc1)C1CCCCCC1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
UBE2M P61081 5/20 0.38
DCUN1D1 Q96GG9 5/20 0.38
ALDH1A1 P00352 6/20 0.36
USP2 O75604 3/20 0.36
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 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
SCHEMBL8817855 0.91 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1POLBALOX15
SCHEMBL9056629 0.89 KMT2A (0.38) KMT2AMEN1UBE2MDCUN1D1ALDH1A1
SCHEMBL8856166 0.84 TP53 (0.37) UBE2MDCUN1D1ALDH1A1ALOX15TSHR
SCHEMBL8808662 0.83 KMT2A (0.38) KMT2AMEN1UBE2MDCUN1D1ALDH1A1
SCHEMBL8856113 0.82 UBE2M (0.40) KMT2AUBE2MDCUN1D1ALDH1A1LMNA
SCHEMBL8807965 0.82 GAA (0.47) KMT2AMEN1UBE2MDCUN1D1ALDH1A1
SCHEMBL8810238 0.81 KMT2A (0.41) KMT2AMEN1UBE2MDCUN1D1ALDH1A1
SCHEMBL8808860 0.80 USP2 (0.43) KMT2AUBE2MDCUN1D1ALDH1A1USP2
SCHEMBL8809049 0.80 TP53 (0.42) KMT2AMEN1ALDH1A1USP2POLB
SCHEMBL8807728 0.80 TP53 (0.42) KMT2AMEN1ALDH1A1USP2POLB

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