SCHEMBL8602991

SCHEMBL8602991

C=CCc1ccc(-c2cc(CCCCCC(C)F)ccc2-c2cncnc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.32
CNR2 P34972 3/20 0.31
ALOX5 P09917 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
GABRB1 P18505 1/20 0.30
RXRA P19793 1/20 0.30
CNR1 P21554 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
KMT2A Q03164 1/20 0.30
ACE2 Q9BYF1 1/20 0.30
SIRT3 Q9NTG7 1/20 0.30

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
SCHEMBL8603103 0.89 PTAFR (0.43) PTAFRACE2
SCHEMBL8597467 0.87 SRC (0.33) PTAFRMEN1GAAMAPTKMT2A
SCHEMBL8600416 0.87 PTAFR (0.36) PTAFR
SCHEMBL8601471 0.82 KCNA3 (0.32)
SCHEMBL8599898 0.81
SCHEMBL8602554 0.80 LTA4H (0.36) POLB
SCHEMBL8601588 0.80 PTAFR (0.32) PTAFR
SCHEMBL7560812 0.79 TSHR (0.38) ALOX5MEN1MAPTKMT2A
SCHEMBL8603393 0.79 TSHR (0.38) ALOX5MEN1MAPTKMT2A
SCHEMBL8600391 0.77 PTAFR (0.40) PTAFRMEN1KMT2A

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-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed