SCHEMBL9025523

SCHEMBL9025523

COc1cccc(-n2nc(C(=O)O)c3ccccc32)c1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.56
KMT2A Q03164 4/20 0.49
ALDH1A1 P00352 3/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA14 Q9ULX7 1/20 0.49
MEN1 O00255 3/20 0.46
PKM P14618 1/20 0.46
ATM Q13315 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
DRD2 P14416 1/20 0.41
HTR2A P28223 1/20 0.41
CDK9 P50750 1/20 0.41
DYRK1A Q13627 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL9024249 0.76 ALDH1A1 (0.57) RORCALDH1A1CA12CA9NPSR1
SCHEMBL5652361 0.75 PDE10A (0.48) RORCKMT2AALDH1A1MEN1PKM
SCHEMBL4974762 0.74 RORC (0.46) RORCKMT2AALDH1A1MEN1PKM
SCHEMBL8548403 0.73 CA12 (0.43) RORCKMT2AALDH1A1CA12CA1
SCHEMBL1600115 0.72 KMT2A (0.47) RORCKMT2AALDH1A1MEN1PKM
SCHEMBL19471866 0.72 RORC (1.00) RORC
SCHEMBL1969701 0.72 ELANE (0.49) RORCKMT2AALDH1A1MEN1PKM
SCHEMBL28774901 0.72 ELANE (0.56) KMT2AMEN1PKMGAAF2
SCHEMBL7421574 0.72 SCN9A (0.58) RORCALDH1A1SCN9ASTAT1
SCHEMBL14584146 0.71 MEN1 (0.76) RORCKMT2AALDH1A1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0347749-B1 Pyrazoloacridone derivatives with anti-tumoral activity KYOWA HAKKO KOGYO KK (JP) 1996-04-24 EP disclosed
US-5079358-A Humans; leukemia KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-01-07 US disclosed