SCHEMBL29188992

SCHEMBL29188992

Cn1c(C(=O)O)cc2ccc(Cl)nc21

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 5/20 0.54
MCL1 Q07820 2/20 0.47
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
HPGD P15428 4/20 0.44
HSD17B10 Q99714 4/20 0.44
GPR35 Q9HC97 1/20 0.44
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
RHEB Q15382 1/20 0.39
CYP11B2 P19099 1/20 0.38
GFER P55789 2/20 0.36
SRD5A2 P31213 1/20 0.36
MAPK1 P28482 1/20 0.35
DAO P14920 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
SCHEMBL25207020 0.83 L3MBTL1 (0.49) CCR9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29367884 0.83 L3MBTL1 (0.49) CCR9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27424598 0.79 ALOX15 (0.43) CCR9ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5261632 0.78 ALDH1A1 (0.50) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3758947 0.73 MCL1 (0.56) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL31461935 0.73 ROCK1 (0.58) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27424938 0.73 ROCK1 (0.58) MCL1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL30503555 0.73 CYP11B2 (0.39) CCR9RXFP1SMN1; SMN2CYP11B2
SCHEMBL26631341 0.73 CYP11B2 (0.39) CCR9RXFP1SMN1; SMN2CYP11B2
SCHEMBL29850694 0.72 CCR9 (0.56) CCR9GPR35

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
CN-116249531-A Compositions and methods for activating pyruvate kinase 密执安大学评议会 2023-06-09 CN disclosed