SCHEMBL10425548

SCHEMBL10425548

C=C(c1ccc(OC)cc1)c1nnnn1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RAB9A P51151 1/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HSD11B1 P28845 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
MGAM O43451 1/20 0.37
F12 P00748 1/20 0.37
AMY1A P0DUB6 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
GSK3B P49841 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL10612486 0.82 MAPT (0.50) ALDH1A1MAPTERCC5FEN1SMN1; SMN2
SCHEMBL4683697 0.81 ALDH1A1 (0.49) ALDH1A1MAPTERCC5FEN1SMN1; SMN2
SCHEMBL4685242 0.79 ALDH1A1 (0.45) ALDH1A1TDP1ERCC5FEN1SMN1; SMN2
SCHEMBL9726963 0.76 TCF4 (0.46) ALDH1A1TDP1MAPTERCC5FEN1
SCHEMBL3277627 0.73 MAPT (0.59) ALDH1A1MAPTSMN1; SMN2CES2CES1
SCHEMBL10385011 0.73 NQO2 (0.43) ALDH1A1TDP1MAPTERCC5FEN1
SCHEMBL9726718 0.72 HMGCR (0.43) ALDH1A1MAPTERCC5FEN1SMN1; SMN2
SCHEMBL9726725 0.72 HMGCR (0.43) ALDH1A1MAPTERCC5FEN1SMN1; SMN2
SCHEMBL9727011 0.71 ALDH1A1 (0.51) ALDH1A1TDP1MAPTSMN1; SMN2RAB9A
SCHEMBL10612472 0.70 NQO2 (0.49) ALDH1A1MAPTSMN1; SMN2RAB9ANPSR1

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-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US claimed
WO-1988006584-A1 ANTIHYPERCHOLESTEROLEMIC TETRAZOLE COMPOUNDS BRISTOL-MYERS COMPANY (US) 1988-09-07 WO disclosed