SCHEMBL9150431

SCHEMBL9150431

O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1cccc(F)c1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.76
ALDH1A1 P00352 3/20 0.76
KDM4E B2RXH2 2/20 0.76
HSD17B10 Q99714 3/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 2/20 0.59
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
ATM Q13315 1/20 0.59
KDM4C Q9H3R0 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.45
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
FAAH O00519 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL8601506 0.86 MAPT (1.00) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9150151 0.85 KDM4E (0.77) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9151318 0.85 ALDH1A1 (0.76) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9147247 0.85 ALDH1A1 (0.76) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9150050 0.82 ALDH1A1 (0.89) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9149559 0.81 KDM4E (0.70) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL28574331 0.81 KMT2A (0.68) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL9150814 0.81 ALDH1A1 (0.78) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL9150180 0.79 ALDH1A1 (0.84) MAPTALDH1A1KDM4EHSD17B10KMT2A
SCHEMBL3984117 0.78 CYP1A2 (0.66) MAPTALDH1A1KDM4EKMT2AMEN1

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-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed