SCHEMBL14529436

SCHEMBL14529436

CCOC(/C=C/c1cnccn1)OCC

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ CTH P32929 1/20 0.31
▸ CYP2D6 P10635 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL16597642 0.71 RAB9A (0.63) RAB9AKMT2ACTHCYP19A1
SCHEMBL15871027 0.71 RAB9A (0.63) RAB9AKMT2ACTHCYP19A1
SCHEMBL5305671 0.71 RAB9A (0.46) RAB9AKMT2ACTHCYP2D6CYP19A1
SCHEMBL5305673 0.71 RAB9A (0.46) RAB9AKMT2ACTHCYP2D6CYP19A1
SCHEMBL10714249 0.69 RAB9A (0.45) RAB9AKMT2ACTH
SCHEMBL10714244 0.69 RAB9A (0.45) RAB9AKMT2ACTH
SCHEMBL10714252 0.69 RAB9A (0.45) RAB9AKMT2ACTH
SCHEMBL5883356 0.68 — —
SCHEMBL5883986 0.68 — —
SCHEMBL5883350 0.68 — —

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-2007048943-A1 HETEROGENEOUS CATALYST SYSTEM AND THE USE THEREOF NOVALYST DISCOVERY (FR) 2007-05-03 — — WO disclosed
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