SCHEMBL7739447

SCHEMBL7739447

Nc1ccc(Oc2cccc(C(F)(F)C(F)(c3cccc(Oc4ccc(N)cc4)c3)C(F)(F)F)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56
GFER P55789 1/20 0.56
NLRP1 Q9C000 1/20 0.56
NOD2 Q9HC29 1/20 0.56
MAOA P21397 1/20 0.46
MAOB P27338 3/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
NLRP3 Q96P20 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPGD P15428 1/20 0.41
MAPK1 P28482 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
SCHEMBL28606659 0.89 MAOB (0.51) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL6751609 0.89 ALDH1A1 (0.49) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29551212 0.83 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL310455 0.83 ALDH1A1 (0.61) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL476378 0.82 ALDH1A1 (0.66) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9723997 0.82 MAOB (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL7859798 0.80 ALDH1A1 (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL28621904 0.80 ALDH1A1 (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8364553 0.78 ALDH1A1 (0.54) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL9859933 0.77 TSHR (0.61) ALDH1A1MAPTSMN1; SMN2GAAMAOA

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
WO-2002062873-A9 PHOTOACTIVE POLYMER ROLIC AG (CH) 2002-10-03 WO claimed