SCHEMBL8337257

SCHEMBL8337257

Cc1ccc(N2C(=O)/C(=C/C3=CCC(c4ccc(Cl)cc4)O3)SC2=S)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.49
MEN1 O00255 9/20 0.49
MAPT P10636 9/20 0.49
ALDH1A1 P00352 7/20 0.49
POLB P06746 6/20 0.49
RAB9A P51151 3/20 0.49
ALOX12 P18054 2/20 0.49
HPGD P15428 1/20 0.49
THRB P10828 4/20 0.46
RECQL P46063 3/20 0.46
LMNA P02545 2/20 0.45
MAPK1 P28482 4/20 0.42
GPR35 Q9HC97 1/20 0.42
IKBKB O14920 3/20 0.40
DUSP22 Q9NRW4 1/20 0.39
NPC1 O15118 1/20 0.39
CISD1 Q9NZ45 2/20 0.38
MAOB P27338 1/20 0.38
USP2 O75604 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL13766490 0.73 MAPT (0.55) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13855614 0.73 CISD1 (0.44) MAPTALDH1A1POLBRAB9ALMNA
SCHEMBL3906427 0.71 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL3906422 0.71 KMT2A (0.58) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL8339399 0.70 CISD1 (0.41) KMT2AMEN1MAPTALDH1A1RAB9A
SCHEMBL8289157 0.69 DUSP22 (0.52) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL19419941 0.67 KMT2A (0.77) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13058066 0.67 CISD1 (0.54) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL13081727 0.67 PTPN12 (0.48) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL3895153 0.67 MEN1 (0.54) KMT2AMEN1MAPTALDH1A1POLB

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-2004043955-A1 RHODANINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RIGEL PHARMACEUTICALS, INC. (US) 2004-05-27 WO disclosed