SCHEMBL9147237

SCHEMBL9147237

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MAPT P10636 3/20 0.61
ALDH1A1 P00352 3/20 0.61
KMT2A Q03164 5/20 0.55
PKM P14618 1/20 0.55
MEN1 O00255 4/20 0.51
HSD17B10 Q99714 3/20 0.51
CYP2D6 P10635 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 1/20 0.51
ATM Q13315 1/20 0.51
MAPK1 P28482 2/20 0.50
RAB9A P51151 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50

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
SCHEMBL9150814 0.90 ALDH1A1 (0.78) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL8603028 0.88 MAPT (0.78) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL8652810 0.86 MAPT (0.76) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL9148332 0.85 MAPT (0.67) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL9146244 0.85 MAPT (0.71) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL9150847 0.83 MAPT (0.64) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL10966689 0.81 KDM4E (0.63) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL9149780 0.81 KDM4E (0.60) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL8600796 0.81 ALDH1A1 (0.60) KDM4EMAPTALDH1A1KMT2APKM
SCHEMBL8654945 0.81 KDM4E (0.60) KDM4EMAPTALDH1A1KMT2APKM

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