SCHEMBL30353115

SCHEMBL30353115

Cn1nc(-c2ccc(F)cc2)cc1Oc1cc(C#N)ccc1-c1ccc(CCN)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 4/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
GRM5 P41594 3/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
CYP11B1 P15538 3/20 0.35
CYP19A1 P11511 2/20 0.35
CYP11B2 P19099 2/20 0.35
SCN9A Q15858 1/20 0.33
TP53 P04637 2/20 0.33
SQOR Q9Y6N5 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MDM2 Q00987 1/20 0.33

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
SCHEMBL25554088 1.00 NSD2 (0.37) NSD2ALOX5APFEN1GRM5KDM4E
SCHEMBL25554071 0.92 CYP11B1 (0.40) NSD2ALOX5APFEN1GRM5KDM4E
SCHEMBL30353086 0.92 CYP11B1 (0.40) NSD2ALOX5APFEN1GRM5KDM4E
SCHEMBL30353104 0.91 GRM5 (0.38) NSD2ALOX5APFEN1GRM5CYP11B1
SCHEMBL25554119 0.91 GRM5 (0.38) NSD2ALOX5APFEN1GRM5CYP11B1
SCHEMBL25554052 0.90 CYP11B2 (0.41) NSD2ALOX5APFEN1GRM5KDM4E
SCHEMBL25554077 0.86 CYP11B2 (0.47) KDM4EALDH1A1GAACYP11B1CYP19A1
SCHEMBL30257418 0.86 NPC1 (0.36) NSD2GRM5POLBCYP11B1CYP19A1
SCHEMBL25554706 0.86 CYP11B1 (0.36) NSD2ALOX5APFEN1GRM5CYP11B1
SCHEMBL25554084 0.86 NPC1 (0.36) NSD2GRM5POLBCYP11B1CYP19A1

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