SCHEMBL4754100

SCHEMBL4754100

CC(CNC(=O)O)Cc1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 5/20 0.43
TAAR1 Q96RJ0 1/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
THRB P10828 1/20 0.41
CYP3A4 P08684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL4750940 0.90 TP53 (0.48) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4267618 0.85 TP53 (0.56) TP53KMT2AMEN1ALDH1A1HPGD
SCHEMBL4789503 0.76 TP53 (0.49) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4750935 0.74 TP53 (0.48) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4754097 0.73 TP53 (0.55) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4091250 0.73 TP53 (0.54) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4101970 0.73 TP53 (0.57) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL4101974 0.73 TP53 (0.57) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL13981702 0.73 TP53 (0.54) TP53KMT2AMEN1ALDH1A1POLB
SCHEMBL13741951 0.70 TP53 (0.49) TP53KMT2AALDH1A1POLBMAPT

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-2008147852-A1 KINESIN INHIBITORS TAIGEN BIOTECHNOLOGY CO., LTD. (TW) 2008-12-04 WO disclosed