SCHEMBL30353064

SCHEMBL30353064

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 8/20 0.38
KDM1A O60341 1/20 0.34
CYP11B2 P19099 3/20 0.32
CYP11B1 P15538 3/20 0.32
CYP19A1 P11511 2/20 0.32
LOXL2 Q9Y4K0 1/20 0.32
PRKDC P78527 1/20 0.31
USP1 O94782 1/20 0.31
ALOX5AP P20292 1/20 0.30
FEN1 P39748 1/20 0.30
GRM5 P41594 1/20 0.30
EIF4E P06730 1/20 0.30
MKNK1 Q9BUB5 1/20 0.30
MKNK2 Q9HBH9 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
SCHEMBL25554404 1.00 NSD2 (0.38) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL30353045 0.93 NSD2 (0.33) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL25554167 0.93 NSD2 (0.33) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL25555244 0.93 NSD2 (0.36) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL25554407 0.88 NSD2 (0.37) NSD2CYP11B2CYP11B1CYP19A1PRKDC
SCHEMBL30353072 0.88 NSD2 (0.37) NSD2CYP11B2CYP11B1CYP19A1PRKDC
SCHEMBL25554341 0.88 NSD2 (0.39) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL30257252 0.88 NSD2 (0.39) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL30257311 0.86 NSD2 (0.38) NSD2KDM1ACYP11B2CYP11B1CYP19A1
SCHEMBL25554346 0.86 NSD2 (0.38) NSD2KDM1ACYP11B2CYP11B1CYP19A1

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