SCHEMBL28765241

SCHEMBL28765241

CO/N=C/C=N/Nc1cccc(F)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEPTOR Q8TB45 1/20 0.43
▸ MAPT P10636 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ RAPGEF4 Q8WZA2 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MMP1 P03956 2/20 0.36
▸ MMP2 P08253 2/20 0.36
▸ MMP9 P14780 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28765184 1.00 DEPTOR (0.43) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL29711832 1.00 DEPTOR (0.43) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL28765248 0.84 DEPTOR (0.40) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL31482885 0.84 DEPTOR (0.40) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL22968434 0.84 DEPTOR (0.40) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL31482886 0.84 DEPTOR (0.40) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL22968593 0.83 NPC1 (0.50) MAPTSMN1; SMN2TP53MEN1KMT2A
SCHEMBL28765116 0.81 TSHR (0.43) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL31482887 0.81 TSHR (0.43) DEPTORMAPTSMN1; SMN2TP53MEN1
SCHEMBL31482884 0.81 DEPTOR (0.40) DEPTORMAPTSMN1; SMN2TP53MEN1

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
EP-4010325-A1 IMPROVED SYNTHETIC METHODS OF MAKING (2H-1,2,3-TRIAZOL-2-YL)PHENYL COMPOUNDS AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica NV (BE) 2022-06-15 — — EP disclosed
CN-114555603-A Improved synthesis for the preparation of (2H-1,2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2022-05-27 — — CN disclosed
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