SCHEMBL30908616

SCHEMBL30908616

O=Cc1ccc2ccc(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HSD17B10 Q99714 1/20 0.41
CYP2A6 P11509 6/20 0.40
MAPT P10636 3/20 0.38
VCAM1 P19320 1/20 0.38
KDM4E B2RXH2 2/20 0.38
PTGS2 P35354 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A3 P47895 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 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
SCHEMBL22933041 1.00 ALDH1A1 (0.47) ALDH1A1HSD17B10CYP2A6MAPTVCAM1
SCHEMBL2972151 0.86 ALDH1A1 (0.45) ALDH1A1HSD17B10CYP2A6MAPTVCAM1
SCHEMBL22932900 0.80 ALDH1A1 (0.39) ALDH1A1TSHRCRHBPCRHR2
SCHEMBL28227079 0.80 BACE1 (0.52) CYP2A6
SCHEMBL16772270 0.79 CYP2A6 (0.45) ALDH1A1CYP2A6MAPTKDM4EPTGS2
SCHEMBL28621619 0.78 CCR1 (0.50) ALDH1A1HSD17B10CYP2A6MAPTKDM4E
SCHEMBL17657687 0.76 CYP1A2 (0.55) CYP2A6KDM4EPOLB
SCHEMBL15653241 0.76 KDM4E (0.47) ALDH1A1HSD17B10CYP2A6KDM4EPTGS2
SCHEMBL29951143 0.76 KDM4E (0.47) ALDH1A1HSD17B10CYP2A6KDM4EPTGS2
SCHEMBL27959192 0.76 ALDH1A1 (0.41) ALDH1A1HSD17B10CYP2A6KDM4EPTGS2

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
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed