SCHEMBL9506859

SCHEMBL9506859

Cc1cc(O)nc(O)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGBL2 Q5U5Z8 2/20 0.41
KDM4E B2RXH2 7/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 3/20 0.38
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
KDR P35968 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 5/20 0.35
ALDH1A1 P00352 4/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CASP1 P29466 1/20 0.33

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
SCHEMBL9506843 0.82 NPSR1 (0.47) KDM4EGAAALDH1A1GLAHPGD
SCHEMBL10485433 0.76 NOS3 (0.31) KDM4EMAPTCYP1A2ALDH1A1
SCHEMBL9780872 0.74 CYP3A4 (0.47) AGBL2KDM4EMAPTPOLBCYP1A2
SCHEMBL8801602 0.74 CYP1A2 (0.40) KDM4EMAPTPOLBCYP1A2CYP3A4
SCHEMBL10485375 0.73 TKT (0.33) KDM4EALDH1A1
SCHEMBL9164676 0.73 KDM4E (0.31) KDM4EMAPT
SCHEMBL509440 0.71 KDM4E (0.58) AGBL2KDM4EMAPTPOLBCYP1A2
SCHEMBL7499654 0.71 SMN1; SMN2 (0.42) KDM4ECYP1A2SMN1; SMN2LMNAGAA
SCHEMBL10864783 0.71 ALDH1A1 (0.50) KDM4EMAPTPOLBCYP3A4SMN1; SMN2
Hydrochloric Acid SCHEMBL2529687 0.70 KDM4E (0.56) AGBL2KDM4EMAPTPOLBCYP1A2

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-0297397-A2 Preparation of diazo and azo compounds BAYER AG (DE) 1989-01-04 EP 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