SCHEMBL9475992

SCHEMBL9475992

Cc1cc(Sc2ccc(I)cc2)ccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 1/20 0.33
GFER P55789 1/20 0.33
PIM1 P11309 1/20 0.33
TP53 P04637 1/20 0.33
BCL2 P10415 1/20 0.31
MCL1 Q07820 1/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
RAPGEF4 Q8WZA2 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
SCHEMBL30176409 0.75
SCHEMBL20345294 0.75 ALDH1A1 (0.53) MAPTKMT2AALDH1A1HPGDOPRM1
SCHEMBL1049725 0.75
SCHEMBL5887631 0.75 CYP3A4 (0.47) MAPTKMT2AALDH1A1HPGDMEN1
SCHEMBL8772911 0.74 MAPT (0.40) MAPTALDH1A1HPGDACHEPIM1
SCHEMBL12525121 0.73 MLYCD (0.45) MAPTKMT2AALDH1A1HPGDSMN1; SMN2
SCHEMBL9440388 0.73 MEN1 (0.44) MAPTKMT2AALDH1A1ACHEMEN1
SCHEMBL30832958 0.73 ALDH1A1 (0.50) MAPTKMT2AALDH1A1HPGDOPRM1
SCHEMBL47860 0.73 ALDH1A1 (0.50) MAPTKMT2AALDH1A1HPGDOPRM1
Fluoride SCHEMBL28773061 0.72 CYP3A4 (0.45) MAPTKMT2AALDH1A1HPGDMEN1

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-5268449-A Containing arylene sulfide and arylene sulfonate segments PHILLIPS PETROLEUM COMPANY (US) 1993-12-07 US disclosed