SCHEMBL9739481

SCHEMBL9739481

COc1ccc2[c]c[nH]c2c1C

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.32
CYP19A1 P11511 1/20 0.31
NQO2 P16083 1/20 0.31

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
SCHEMBL9741890 0.81 CYP19A1 (0.38) KDM4EMEN1POLBGAAMAPT
SCHEMBL9741961 0.76 DAO (0.32)
SCHEMBL1966772 0.76 CA1 (0.39) KDM4EMEN1POLBGAAMAPT
SCHEMBL9740698 0.71 KDM4E (0.37) KDM4EMEN1POLBGAAMAPT
SCHEMBL1969418 0.70 KDM4E (0.34) KDM4EMEN1POLBGAAMAPT
SCHEMBL29793327 0.67 ACHE (0.52) KDM4EMEN1POLBGAAMAPT
SCHEMBL1635785 0.67 ACHE (0.52) KDM4EMEN1POLBGAAMAPT
SCHEMBL9739991 0.67 NQO2 (0.39) KDM4EGAAACHENQO2
SCHEMBL9738931 0.67 CYP19A1 (0.39) KDM4EMAPTACHECYP19A1NQO2
SCHEMBL9740213 0.66 ERN1 (0.34) MAPTNQO2

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
US-5175157-A Cardiovascular disorders BOEHRINGER INGELHEIM GMBH (DE) 1992-12-29 US disclosed