SCHEMBL6221973

SCHEMBL6221973

NC(=O)c1ccccc1CC[CH]c1nnco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.35
KDM4E B2RXH2 6/20 0.33
CES1 P23141 1/20 0.33
DAGLA Q9Y4D2 1/20 0.33
ALDH1A1 P00352 6/20 0.33
HPGD P15428 4/20 0.33
MAPT P10636 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
LMNA P02545 2/20 0.32
FOLH1 Q04609 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.31
CTNNB1 P35222 1/20 0.31
METAP2 P50579 1/20 0.31
AKR1C1 Q04828 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BCAT2 O15382 1/20 0.30

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
SCHEMBL7648128 0.79 KDM4E (0.33) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL7479445 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL27924016 0.72 KDM4E (0.44) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL7654900 0.71 PARP1 (0.33) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL4735612 0.71 ALDH1A1 (0.54) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL7773123 0.70 KDM4E (0.55) PARP1KDM4EALDH1A1HPGDMAPT
SCHEMBL4024234 0.70 KDM4E (0.42) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL17513978 0.70 ATM (0.41) PARP1ALDH1A1HPGDMAPTTSHR
SCHEMBL17513891 0.70 CD38 (0.36) PARP1KDM4EALDH1A1MAPTTSHR
SCHEMBL17514014 0.69 ATM (0.53) ALDH1A1HPGDMAPTTSHRKMT2A

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-1194425-B1 SUBSTITUTED BENZIMIDAZOLE AVENTIS PHARMA GMBH (DE) 2005-08-10 EP disclosed
US-6358978-B1 FOR THERAPY AND PROPHYLAXIS OF RHEUMATOID ARTHRITIS (IN THE CASE OF INFLAMMATION), OSTEOARTHRITIS, ASTHMA, CARDIAC INFARCT, ALZHEIMER'S DISEASE, OR ATHEROSCLEROSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-03-19 US disclosed