SCHEMBL7020166

SCHEMBL7020166

Cc1c(Cl)nc(NC[C@H]2CCN(C(=O)OC(C)(C)C)C2)c(=O)n1CC(=O)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.45
BRD4 O60885 2/20 0.43
PARP1 P09874 2/20 0.43
PARP2 Q9UGN5 2/20 0.43
PRMT5 O14744 1/20 0.42
GPR119 Q8TDV5 1/20 0.42
YAP1 P46937 3/20 0.42
CCNT1 O60563 1/20 0.42
CDK9 P50750 1/20 0.42
GRIN2B Q13224 3/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
HTR6 P50406 1/20 0.40
ACKR3 P25106 1/20 0.40

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
SCHEMBL7023919 0.91 TPSAB1 (0.47) TPSAB1GRIN2BCYP2D6CYP2C9
SCHEMBL7694668 0.91 TPSAB1 (0.47) TPSAB1GRIN2BCYP2D6CYP2C9
SCHEMBL7021064 0.85 PRMT5 (0.46) TPSAB1PARP1PRMT5
SCHEMBL8205180 0.84 TPSAB1 (0.52) TPSAB1GRIN2BCYP2D6CYP2C9
SCHEMBL7403728 0.80 TPSAB1 (0.49) TPSAB1
SCHEMBL7020168 0.79 TPSAB1 (0.43) TPSAB1
SCHEMBL7027708 0.78 TPSAB1 (0.43) TPSAB1
SCHEMBL7020326 0.78 TPSAB1 (0.43) TPSAB1
SCHEMBL7018545 0.78 TPSAB1 (0.43) TPSAB1
SCHEMBL7020466 0.78 TPSAB1 (0.43) TPSAB1

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
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed