SCHEMBL9637468

SCHEMBL9637468

CCC(c1ccc(-c2ccccc2C#N)c(CCCl)c1)c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.39
DHODH Q02127 9/20 0.37
EIF4E P06730 1/20 0.36
BRS3 P32247 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL9637462 0.87 BRS3 (0.37) EIF4EBRS3KDM4E
SCHEMBL9638116 0.76 MLKL (0.45) HPGD
SCHEMBL18132568 0.65 KDM4E (0.59) PARP1DHODHKDM4E
SCHEMBL828410 0.64 PARP1 (0.61) PARP1DHODHKDM4EHPGD
SCHEMBL9197081 0.63 PARP1 (0.38) PARP1DHODH
SCHEMBL4235564 0.63 CTSA (0.47) PARP1DHODHKDM4EHPGD
SCHEMBL4734786 0.63 PARP1 (0.60) PARP1DHODHKDM4EHPGD
SCHEMBL828222 0.63 PARP1 (0.60) PARP1DHODHKDM4EHPGD
SCHEMBL2789377 0.62 KDM4E (0.60) PARP1DHODHKDM4EHPGD
SCHEMBL8974533 0.62 CNR1 (0.38) PARP1

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
US-5128356-A Angiotensin antagonist; cardiovascular disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-07-07 US disclosed