SCHEMBL30167000

SCHEMBL30167000

CNc1cc(C(F)(F)F)ccc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ GFER P55789 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ CFTR P13569 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KIF11 P52732 5/20 0.43
▸ HSD17B10 Q99714 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HDAC2 Q92769 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ PTGS1 P23219 2/20 0.40
▸ ALOX15 P16050 1/20 0.40

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
SCHEMBL118960 1.00 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL14934059 0.85 MEN1 (0.41) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL115650 0.84 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL23455648 0.82 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL15714285 0.81 KIF11 (0.50) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL19661475 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL112521 0.79 LMNA (0.56) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9226616 0.78 TAS2R14 (0.50) MEN1KMT2AGAAMAPTRAB9A
SCHEMBL9285908 0.78 CES2 (0.46) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL9226482 0.78 MEN1 (0.47) MEN1KMT2AKIF11HSD17B10TSHR

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-115768761-B Novel benzimidazole derivatives 卡尔那生物科学株式会社 2025-02-25 — — CN disclosed
CN-115768761-A Novel benzimidazole derivatives 卡尔那生物科学株式会社 2023-03-07 — — CN disclosed
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