SCHEMBL23189106

SCHEMBL23189106

CC(=O)c1cc(C(F)(F)c2ccccc2)on1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.36
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ SCD5 Q86SK9 1/20 0.34
▸ SMN1; SMN2 Q16637 4/20 0.34
▸ LMNA P02545 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL15956120 0.87 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
Hydrochloric Acid SCHEMBL17288793 0.86 ALDH1A1 (0.47) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19980443 0.84 KMT2A (0.38) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL17288792 0.84 ALDH1A1 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL15956383 0.80 MAPT (0.45) NPC1ALDH1A1CYP1A2CYP2C19KDM4E
SCHEMBL17321298 0.73 MEN1 (0.36) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL14213302 0.72 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL19228450 0.71 ALDH1A1 (0.49) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL24130013 0.71 ALDH1A1 (0.39) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL28164053 0.70 EPHX2 (0.33) MEN1KMT2ANPC1RAB9AALDH1A1

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
EP-3508484-B1 HETEROCYCLIC AMIDES AS KINASE INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-04-07 — — EP disclosed
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