SCHEMBL29932002

SCHEMBL29932002

Cc1cc(N)c(N2CCOCC2)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.46
GAA P10253 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 2/20 0.40
THRB P10828 1/20 0.40
LGMN Q99538 1/20 0.39
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CA P42336 1/20 0.37
ALDH3A1 P30838 1/20 0.36
ALDH1A3 P47895 1/20 0.36
LRRK2 Q5S007 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL23536336 1.00 MAPT (0.46) MAPTGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL23555248 0.83 CRHR1 (0.44) MAPTGAASMN1; SMN2KDM4EALDH1A1
SCHEMBL12989805 0.80 ALDH1A1 (0.40) MAPTGAASMN1; SMN2CYP1A2KDM4E
SCHEMBL3548981 0.77 MAPT (0.62) MAPTGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL1199782 0.75 MAPT (0.45) MAPTGAASMN1; SMN2CYP1A2CYP2D6
SCHEMBL29931859 0.74 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP2D6KDM4E
SCHEMBL23536433 0.74 MAPT (0.52) MAPTSMN1; SMN2CYP1A2CYP2D6KDM4E
SCHEMBL23239909 0.72 MAPT (0.49) MAPTGAASMN1; SMN2CYP2D6KDM4E
SCHEMBL3727243 0.72 GAA (0.49) MAPTGAASMN1; SMN2KDM4ELGMN
SCHEMBL18027642 0.72 CRHR1 (0.49) MAPTGAASMN1; SMN2CRHBPCRHR2

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-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed