SCHEMBL8655646

SCHEMBL8655646

O=C(Nc1ccc(C(=O)O)c(O)c1)Oc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
MAPT P10636 3/20 0.60
ALDH1A1 P00352 1/20 0.60
HSD17B10 Q99714 3/20 0.56
KMT2A Q03164 2/20 0.56
CYP2D6 P10635 2/20 0.56
POLB P06746 2/20 0.56
MEN1 O00255 1/20 0.56
ATM Q13315 1/20 0.56
PYGL P06737 2/20 0.54
SIRT5 Q9NXA8 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 2/20 0.49
MAPK1 P28482 2/20 0.49
PNLIP P16233 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
CASP3 P42574 1/20 0.49

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
SCHEMBL8652431 0.89 KDM4E (0.77) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL8603028 0.87 MAPT (0.78) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL9149780 0.86 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL8600796 0.86 ALDH1A1 (0.60) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL9150545 0.86 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL8654945 0.86 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL8652810 0.86 MAPT (0.76) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL9149414 0.85 KDM4E (0.60) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL9146244 0.85 MAPT (0.71) KDM4EMAPTALDH1A1HSD17B10KMT2A
SCHEMBL9148332 0.85 MAPT (0.67) KDM4EMAPTALDH1A1HSD17B10KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630758-B1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD (JP) 1998-10-07 EP disclosed
US-5476957-A Dye for heat sensitive recording MITSUI TOATSU CHEMICALS, INC. (JP) 1995-12-19 US disclosed
US-5466655-A STORAGE STABILITY MITSUBISHI PAPER MILLS LIMITED (JP) 1995-11-14 US disclosed