SCHEMBL7228698

SCHEMBL7228698

COc1cc(C)nc(CC(C)=O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 4/20 0.42
HPGD P15428 3/20 0.42
HSD17B10 Q99714 2/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 6/20 0.39
RECQL P46063 1/20 0.39
LMNA P02545 3/20 0.38
PRNP P04156 1/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 2/20 0.38
GRM5 P41594 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL25176208 0.78 DYRK1A (0.43) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL11240594 0.78 MAPT (0.42) ALDH1A1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL12810896 0.76 ALDH1A1 (0.40) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL25188346 0.75 HTT (0.43) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL13545645 0.73 GRM5 (0.49) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL7230462 0.72 NOS1 (0.56) KDM4EALDH1A1CYP3A4MAPTLMNA
SCHEMBL7231586 0.72 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL12250781 0.71 NOS3 (0.44) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL1162659 0.70 ALDH1A1 (0.48) KDM4EALDH1A1POLBCYP3A4MEN1
SCHEMBL29168790 0.70 CYP3A4 (0.47) KDM4EALDH1A1POLBCYP3A4MEN1

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-6521643-B1 Prevention and/or treatment of nitric oxide synthasey medi-ated diseases such as adult respiratory distress syndrome, myocarditis, synovitis, septic shock, diabetes, ulcerative colitis, cerebral infarction, osteoarthritis FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-02-18 US disclosed
EP-1157022-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-28 EP disclosed
WO-2000049015-A1 PYRIDINE COMPOUNDS AND THEIR PHARMACEUTICAL USE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-24 WO disclosed