SCHEMBL4750935

SCHEMBL4750935

CC(C)CN(CCCNC(=O)O)c1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.48
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.41
TAAR1 Q96RJ0 1/20 0.40
POLB P06746 2/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
THRB P10828 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 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
SCHEMBL4754097 0.81 TP53 (0.55) TP53MAPTALDH1A1POLBKMT2A
SCHEMBL4789503 0.78 TP53 (0.49) TP53MAPTALDH1A1TAAR1POLB
SCHEMBL4750940 0.77 TP53 (0.48) TP53MAPTALDH1A1TAAR1POLB
SCHEMBL4754100 0.74 TP53 (0.53) TP53MAPTALDH1A1TAAR1POLB
SCHEMBL4267618 0.72 TP53 (0.56) TP53MAPTALDH1A1KMT2AMEN1
SCHEMBL4753092 0.72 KIF11 (0.45) MAPTALDH1A1KMT2AMEN1NPSR1
SCHEMBL4753081 0.70 KIF11 (0.45) TP53MAPTALDH1A1KMT2AMEN1
SCHEMBL5250049 0.70 KIF11 (0.43) TP53MAPTNPSR1SMN1; SMN2
SCHEMBL4105415 0.69 TP53 (0.46) TP53MAPTTAAR1POLBKMT2A
SCHEMBL4091503 0.69 TP53 (0.45) TP53MAPTTAAR1POLBKMT2A

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