SCHEMBL4750940

SCHEMBL4750940

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 6/20 0.41
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 1/20 0.39
THRB P10828 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
SCHEMBL4754100 0.90 TP53 (0.53) TP53KMT2AMEN1ALDH1A1MAPT
SCHEMBL4267618 0.80 TP53 (0.56) TP53KMT2AMEN1ALDH1A1MAPT
SCHEMBL4789503 0.80 TP53 (0.49) TP53KMT2AMEN1ALDH1A1MAPT
SCHEMBL4750935 0.77 TP53 (0.48) TP53KMT2AMEN1ALDH1A1MAPT
SCHEMBL4753094 0.72 GNRHR (0.41) KMT2AMEN1MAPTCYP3A4NPSR1
SCHEMBL4091501 0.72 TP53 (0.45) TP53KMT2AMAPTTAAR1POLB
SCHEMBL4091503 0.72 TP53 (0.45) TP53KMT2AMAPTTAAR1POLB
SCHEMBL13742387 0.72 TP53 (0.46) TP53MAPTTAAR1POLBTHRB
SCHEMBL4105415 0.71 TP53 (0.46) TP53KMT2AMAPTTAAR1POLB
SCHEMBL4752600 0.71 KIF11 (0.42) KMT2AMEN1ALDH1A1CYP3A4L3MBTL1

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