SCHEMBL30353072

SCHEMBL30353072

CC(C)c1cc(Oc2cc(C#N)ccc2-c2ncc(CN)cn2)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 8/20 0.37
CYP11B2 P19099 3/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
USP1 O94782 2/20 0.32
PRKDC P78527 2/20 0.32
GRM5 P41594 2/20 0.31
EIF4E P06730 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
SCN9A Q15858 1/20 0.31
ICMT O60725 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
SCHEMBL25554407 1.00 NSD2 (0.37) NSD2CYP11B2CYP19A1CYP11B1USP1
SCHEMBL25555246 0.93 NSD2 (0.36) NSD2CYP11B2CYP19A1CYP11B1PRKDC
SCHEMBL23949272 0.92 CYP19A1 (0.34) NSD2CYP11B2CYP19A1CYP11B1USP1
SCHEMBL30353048 0.92 CYP19A1 (0.34) NSD2CYP11B2CYP19A1CYP11B1USP1
SCHEMBL30353064 0.88 NSD2 (0.38) NSD2CYP11B2CYP19A1CYP11B1USP1
SCHEMBL25554404 0.88 NSD2 (0.38) NSD2CYP11B2CYP19A1CYP11B1USP1
SCHEMBL23949240 0.88 NSD2 (0.38) NSD2CYP11B2CYP19A1CYP11B1PRKDC
SCHEMBL25058663 0.87 NSD2 (0.37) NSD2CYP11B2CYP19A1CYP11B1PRKDC
SCHEMBL30257183 0.87 NSD2 (0.37) NSD2CYP11B2CYP19A1CYP11B1PRKDC
SCHEMBL30257092 0.86 NSD2 (0.37) NSD2CYP11B2CYP19A1CYP11B1PRKDC

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