SCHEMBL9150814

SCHEMBL9150814

O=C(Nc1ccc(O)c(C(=O)O)c1)Oc1ccc2ccccc2c1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.78
KDM4E B2RXH2 4/20 0.78
MAPT P10636 2/20 0.78
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
HSD17B10 Q99714 3/20 0.64
POLB P06746 1/20 0.64
CYP2D6 P10635 1/20 0.64
ATM Q13315 1/20 0.64
ACMSD Q8TDX5 1/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
EGFR P00533 1/20 0.51
KDM4C Q9H3R0 1/20 0.48
PARP1 P09874 1/20 0.47
PARG Q86W56 1/20 0.47
HPGD P15428 1/20 0.46
ROCK2 O75116 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL9147237 0.90 KDM4E (0.61) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8601506 0.88 MAPT (1.00) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9150180 0.85 ALDH1A1 (0.84) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9150050 0.85 ALDH1A1 (0.89) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9153406 0.82 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL10966689 0.81 KDM4E (0.63) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8654938 0.81 MAPT (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8605462 0.81 ALDH1A1 (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL8652431 0.81 KDM4E (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL9150151 0.81 KDM4E (0.77) ALDH1A1KDM4EMAPTMEN1KMT2A

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