SCHEMBL10385010

SCHEMBL10385010

COc1ccc(C(=C/C=C(/C=O)c2nnnn2C)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 1/20 0.43
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TCF4 P15884 1/20 0.37
CTNNB1 P35222 1/20 0.37
ERCC5 P28715 1/20 0.36
FEN1 P39748 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 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
SCHEMBL10385011 1.00 NQO2 (0.43) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL10612472 0.81 NQO2 (0.49) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL9726963 0.78 TCF4 (0.46) NQO2ALDH1A1KDM4EMAPTHPGD
SCHEMBL4683697 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDERCC5
SCHEMBL9799379 0.74 SMN1; SMN2 (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2TDP1
SCHEMBL9799375 0.74 SMN1; SMN2 (0.37) ALDH1A1HPGDRAB9ASMN1; SMN2TDP1
SCHEMBL10425548 0.73 ALDH1A1 (0.43) ALDH1A1KDM4EMAPTERCC5FEN1
SCHEMBL9726725 0.72 HMGCR (0.43) ALDH1A1KDM4EMAPTTCF4CTNNB1
SCHEMBL9726718 0.72 HMGCR (0.43) ALDH1A1KDM4EMAPTTCF4CTNNB1
SCHEMBL9727011 0.72 ALDH1A1 (0.51) NQO2ALDH1A1KDM4EMAPTHPGD

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-4939265-A Intermediates and process for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-07-03 US disclosed
US-4898949-A Intermediates for the preparation of antihypercholesterolemic tetrazole compounds BRISTOL-MYERS COMPANY (US) 1990-02-06 US disclosed