SCHEMBL4750941

SCHEMBL4750941

CC(C)CN(CCCNC(=O)OCc1ccccc1)c1nc2c(oc3ccccc32)c(=O)n1Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
MAPT P10636 4/20 0.39
ALDH1A1 P00352 2/20 0.38
HTT P42858 2/20 0.37
TAAR1 Q96RJ0 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
DOT1L Q8TEK3 1/20 0.37
KAT2B Q92831 1/20 0.37
ELANE P08246 1/20 0.37

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
SCHEMBL4750935 0.91 TP53 (0.48) TP53MAPTALDH1A1HTTTAAR1
SCHEMBL4105415 0.80 TP53 (0.46) TP53MAPTHTTTAAR1POLB
SCHEMBL4753092 0.74 KIF11 (0.45) MAPTALDH1A1HTT
SCHEMBL4753081 0.71 KIF11 (0.45) TP53MAPTALDH1A1HTT
SCHEMBL4091503 0.70 TP53 (0.45) TP53MAPTTAAR1POLB
SCHEMBL4091501 0.70 TP53 (0.45) TP53MAPTTAAR1POLB
SCHEMBL5250049 0.70 KIF11 (0.43) TP53MAPT
SCHEMBL5754455 0.69 MAPT (0.43) MAPTCYP2C19
SCHEMBL4267618 0.69 TP53 (0.56) TP53MAPTALDH1A1
SCHEMBL4750940 0.68 TP53 (0.48) TP53MAPTALDH1A1TAAR1POLB

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