SCHEMBL30353075

SCHEMBL30353075

CN(C)c1cc(Oc2cc(C#N)ccc2-c2ccc(CN)cn2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 8/20 0.37
KDM1A O60341 1/20 0.33
CYP19A1 P11511 2/20 0.32
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
PRKDC P78527 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GRM5 P41594 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
SCHEMBL25554929 1.00 NSD2 (0.37) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25554759 0.93 NSD2 (0.33) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL30353101 0.93 NSD2 (0.33) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25555210 0.89 NSD2 (0.35) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25554934 0.89 NSD2 (0.36) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL30257252 0.87 NSD2 (0.39) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25554341 0.87 NSD2 (0.39) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL30353064 0.86 NSD2 (0.38) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL30257311 0.86 NSD2 (0.38) NSD2KDM1ACYP19A1CYP11B1CYP11B2
SCHEMBL25554346 0.86 NSD2 (0.38) NSD2KDM1ACYP19A1CYP11B1CYP11B2

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
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN claimed
CN-115996910-A Aryl or heteroaryl derivatives 帝人制药株式会社 2023-04-21 CN disclosed