SCHEMBL23697541

SCHEMBL23697541

[O-][S+](Cl)Nc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ KIF11 P52732 1/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ EPAS1 Q99814 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL24903821 0.76 MAPT (0.41) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL23848246 0.75 KIF11 (0.44) MAPTEPHX2KIF11RAB9ANPC1
SCHEMBL31212781 0.73 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL3194551 0.73 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL31212780 0.73 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL1923201 0.73 MAPT (0.61) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL29087276 0.72 KIF11 (0.40) MAPTEPHX2KIF11RAB9AKMT2A
SCHEMBL254957 0.72 MAPT (0.56) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL10492306 0.71 MAPT (0.53) MAPTEPHX2L3MBTL1KDM4EKIF11
SCHEMBL18500607 0.70 MAPT (0.57) MAPTEPHX2L3MBTL1KDM4EKIF11

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
WO-2021188949-A1 3-DIARYLMETHYLENES AND USES THEREOF ATUX ISKAY LLC (US) 2021-09-23 — — WO disclosed
WO-2021150697-A1 N-SUBSTITUTED-3-TRICYCLYL PIPERIDINE DERIVATIVES AS ANTICANCER AND NEUROPROTECTIVE AGENTS ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2021-07-29 — — WO disclosed
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