SCHEMBL10464249

SCHEMBL10464249

O=C(Cc1cccnc1)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 16/20 0.59
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL6282341 0.80 IDO1 (0.58) IDO1NAPRTKDM4E
SCHEMBL10461634 0.77 CYP1A1 (0.42) IDO1PDE3BPDE3A
SCHEMBL10461635 0.77 CYP1A1 (0.42) IDO1PDE3BPDE3A
SCHEMBL26220113 0.74 IDO1 (1.00) IDO1
SCHEMBL7350662 0.73 CA12 (0.49) PDE3BPDE3AKDM4E
SCHEMBL7348389 0.73 ALDH1A1 (0.54) PDE3BPDE3AKDM4E
SCHEMBL10464308 0.72 CYP1A1 (0.42) PDE3BPDE3AKDM4EHSD17B10
SCHEMBL10464309 0.72 CYP1A1 (0.42) PDE3BPDE3AKDM4EHSD17B10
SCHEMBL17672056 0.72 NAPRT (0.65) IDO1NAPRT
SCHEMBL31326722 0.72 NAPRT (0.65) IDO1NAPRT

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
US-4921862-A Carbostyril derivatives as combined thromboxane synthetase and cyclic-amp phosphodiesterase inhibitors SYNTEX (U.S.A.) INC. (US) 1990-05-01 US disclosed
US-4792561-A ANTICOAGULANTS, CARDIOVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed