SCHEMBL8892647

SCHEMBL8892647

[CH]=Cc1ccccc1CF

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL1509679 0.76 GABRA1 (0.41) MEN1LMNATHRBBLMKMT2A
SCHEMBL1377895 0.76 MEN1 (0.31) MEN1LMNATHRBBLMKMT2A
SCHEMBL30548396 0.76 ALDH1A1 (0.44) NFE2L2MEN1LMNATHRBBLM
SCHEMBL167518 0.76 ALDH1A1 (0.44) NFE2L2MEN1LMNATHRBBLM
SCHEMBL2680152 0.76 LMNA (0.55) MEN1LMNATHRBBLMKMT2A
SCHEMBL27524455 0.76 PNMT (0.44) MEN1LMNATHRBBLMKMT2A
SCHEMBL8863217 0.76 ALDH1A1 (0.38) MEN1LMNATHRBBLMKMT2A
SCHEMBL11371115 0.73 MITF (0.40) MITF
SCHEMBL7125533 0.73 GABRA1 (0.44) MEN1LMNAKMT2A
SCHEMBL2335217 0.73 CALM1 (0.46) MEN1KMT2A

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
US-5618792-A USEFUL FOR TREATING ACUTE RESPIRATORY DISEASES, AND MYOCARDIAL ISHCEMIA-REPERFUSION INJURY CORTECH, INC. (US) 1997-04-08 US disclosed