SCHEMBL8709073

SCHEMBL8709073

O=C(c1ccccc1O)c1ncccc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.50
MAPT P10636 2/20 0.50
TSHR P16473 2/20 0.50
CYP3A4 P08684 1/20 0.50
ALOX15 P16050 1/20 0.50
BLM P54132 1/20 0.50
AGER Q15109 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
GSTA1 P08263 2/20 0.49
LIG1 P18858 1/20 0.48
HSP90AA1 P07900 1/20 0.47
EGLN2 Q96KS0 1/20 0.47
FTO Q9C0B1 1/20 0.47
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CA12 O43570 1/20 0.47

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
SCHEMBL4707490 0.86 RORB (0.50) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL27699633 0.86 FTO (0.55) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL8654976 0.81 FTO (0.45) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL8709623 0.81 NPC1 (0.52) KDM4EALDH1A1MAPTTSHRLMNA
SCHEMBL8712176 0.81 GSTA1 (0.63) KDM4EALDH1A1MAPTALOX15NPSR1
SCHEMBL8651464 0.80 HDAC1 (0.47) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL22406366 0.80 LIG1 (0.52) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL8709808 0.80 CSNK2A1 (0.50) KDM4EALDH1A1MAPTALOX15L3MBTL1
SCHEMBL8714018 0.77 KDM4E (0.43) KDM4EALDH1A1MAPTTSHRCYP3A4
SCHEMBL30118935 0.77 KMT2A (0.58) KDM4EALDH1A1MAPTTSHRL3MBTL1

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
US-5716971-A FOR TREATMENT OF ANGINA PECTORIS AND HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0623597-B1 Pyridine derivatives, with potassium channel opening activity TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1997-10-22 EP disclosed
EP-0623597-A1 Pyridine derivatives, with potassium channel opening activity Takeda Chemical Industries, Ltd. (JP) 1994-11-09 EP disclosed