SCHEMBL30353045

SCHEMBL30353045

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.33
CYP19A1 P11511 2/20 0.33
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
KDM1A O60341 1/20 0.33
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31
NPC1 O15118 2/20 0.31
NFKB1 P19838 2/20 0.31
RAB9A P51151 2/20 0.31
NFKB2 Q00653 2/20 0.31
RELA Q04206 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
USP1 O94782 1/20 0.30
GAA P10253 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
SCHEMBL25554167 1.00 NSD2 (0.33) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL25554404 0.93 NSD2 (0.38) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL30353064 0.93 NSD2 (0.38) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL30353048 0.89 CYP19A1 (0.34) NSD2CYP19A1CYP11B1CYP11B2ALOX5AP
SCHEMBL25057820 0.89 NSD2 (0.34) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL23949272 0.89 CYP19A1 (0.34) NSD2CYP19A1CYP11B1CYP11B2ALOX5AP
SCHEMBL30256634 0.89 NSD2 (0.34) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL25058224 0.89 NSD2 (0.34) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL30257266 0.89 NSD2 (0.34) NSD2CYP19A1CYP11B1CYP11B2KDM1A
SCHEMBL25555475 0.89 CYP11B1 (0.34) NSD2CYP19A1CYP11B1CYP11B2KDM1A

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