SCHEMBL7439168

SCHEMBL7439168

CCOC(=O)C1CCCN(c2cccnc2Oc2ccc(C(=N)N)cc2)C1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
HPGD P15428 1/20 0.48
THRB P10828 2/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
USP2 O75604 2/20 0.44
ALDH1A1 P00352 6/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPK1 P28482 1/20 0.44
BRD4 O60885 1/20 0.44
MAPT P10636 1/20 0.44
S100A4 P26447 1/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7454287 0.87 TMPRSS15 (0.50)
SCHEMBL2485752 0.82
SCHEMBL7449717 0.77 TMPRSS15 (0.55) KDM4E
SCHEMBL3436239 0.72 ALDH1A1 (0.56) POLBHPGDTHRBUSP2ALDH1A1
SCHEMBL3436332 0.72 ALDH1A1 (0.63) POLBHPGDTHRBUSP2ALDH1A1
SCHEMBL27684341 0.71 NPSR1 (0.55) HPGDTP53GAAALDH1A1MEN1
SCHEMBL7937671 0.70 PDE10A (0.70)
SCHEMBL7931703 0.70 PDE10A (0.70)
SCHEMBL2058330 0.70 PDE10A (0.70)
SCHEMBL4684573 0.70 ALDH1A1 (0.58) POLBHPGDTHRBUSP2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813525-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1997-12-29 EP disclosed
WO-1996028427-A1 BENZAMIDINE DERIVATIVES THEIR PREPARATION AND THEIR USE AS ANTI-COAGULANTS BERLEX LABORATORIES, INC. (US) 1996-09-19 WO disclosed