SCHEMBL9505997

SCHEMBL9505997

NC(=O)c1cnc(O)cc1O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NNMT P40261 5/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHUK O15111 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LCK P06239 1/20 0.36
PARP1 P09874 1/20 0.35
SIRT3 Q9NTG7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL915144 0.80 ALDH1A1 (0.45) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL8626851 0.79 NNMT (0.47) NNMTMKNK1MKNK2KDM4EALDH1A1
SCHEMBL17971177 0.78 CES2 (0.31) NNMTALDH1A1TSHR
Hydrochloric Acid SCHEMBL29812218 0.78 NNMT (0.46) NNMTMKNK1MKNK2KDM4EALDH1A1
SCHEMBL16181389 0.75 NNMT (0.46) NNMTMKNK1MKNK2ALDH1A1MAPT
SCHEMBL14791399 0.75 KDM4E (0.44) NNMTKDM4EALDH1A1MAPTHPGD
SCHEMBL29812246 0.75 KMT2A (0.39) NNMTMKNK1MKNK2KDM4EALDH1A1
SCHEMBL20605022 0.75 ASPH (0.41) NNMTMAPTPARP1
SCHEMBL1343527 0.74 CA12 (0.52) KDM4EALDH1A1MAPTHPGDTSHR
SCHEMBL23511720 0.73 ALDH1A1 (0.52) MKNK1MKNK2KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0297397-B1 PREPARATION OF DIAZO AND AZO COMPOUNDS BAYER AG (DE) 1993-08-04 EP disclosed
US-4942225-A Preparation of diazo and azo compounds using azidoformamidium salts BAYER AKTIENGESELLSCHAFT (DE) 1990-07-17 US disclosed
EP-0093306-B1 METHODS FOR THE PREPARATION OF AZO COMPOUNDS, AND AZO COMPOUNDS BAYER AG (DE) 1986-09-24 EP disclosed
EP-0093306-A1 Methods for the preparation of azo compounds, and azo compounds BAYER AG (DE) 1983-11-09 EP disclosed
US-3953428-A ANTIBACTERIAL YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-04-27 US disclosed