SCHEMBL31482885

SCHEMBL31482885

CCON=CC=NNc1cccc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DEPTOR Q8TB45 1/20 0.40
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 4/20 0.36
▸ FBP1 P09467 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ RAPGEF4 Q8WZA2 1/20 0.35
▸ TP53 P04637 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP9 P14780 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HTT P42858 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
SCHEMBL22968434 1.00 DEPTOR (0.40) DEPTORMEN1KMT2AMAPTFBP1
SCHEMBL28765184 0.84 DEPTOR (0.43) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL29711832 0.84 DEPTOR (0.43) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL28765241 0.84 DEPTOR (0.43) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL22968468 0.82 LMNA (0.39) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL31482882 0.82 LMNA (0.39) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL31482886 0.80 DEPTOR (0.40) DEPTORMEN1KMT2AMAPTPOLB
SCHEMBL28765248 0.80 DEPTOR (0.40) DEPTORMEN1KMT2AMAPTPOLB
SCHEMBL31482887 0.78 TSHR (0.43) DEPTORMEN1KMT2AMAPTKDM4E
SCHEMBL28765116 0.78 TSHR (0.43) DEPTORMEN1KMT2AMAPTKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114555603-B Improved synthetic methods for preparing (2H-1, 2, 3-triazol-2-yl) phenyl compounds as orexin receptor modulators 詹森药业有限公司 2025-03-14 — — CN disclosed
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