SCHEMBL9387290

SCHEMBL9387290

Cc1cccc(C(=O)OC2COC2)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTPRF P10586 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
BCHE P06276 1/20 0.36
SCN1A P35498 4/20 0.35
SCN2A Q99250 4/20 0.35
SCN3A Q9NY46 4/20 0.35
LMNA P02545 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL27756833 0.82 ATM (0.51) ATMALDH1A1KDM4EPOLBTSHR
SCHEMBL27657880 0.79 ALDH1A1 (0.46) ATMALDH1A1KDM4EPOLBTSHR
SCHEMBL9385629 0.78 ALDH1A1 (0.48) ALDH1A1POLBTSHRPTPN2PTPN1
SCHEMBL27543313 0.76 CYP2C9 (0.47) ALDH1A1KDM4ETSHRHSD17B10CYP2C9
SCHEMBL29601872 0.74 ALDH1A1 (0.58) ATMALDH1A1KDM4EPOLBTSHR
SCHEMBL228051 0.74 ALDH1A1 (0.58) ATMALDH1A1KDM4EPOLBTSHR
SCHEMBL27613393 0.74 CYP2D6 (0.48) ALDH1A1KDM4ETSHRHSD17B10CYP2C9
SCHEMBL27902531 0.73 CYP2C9 (0.47) ALDH1A1KDM4EPOLBTSHRHSD17B10
SCHEMBL27928035 0.73 CYP2C9 (0.47) ALDH1A1KDM4ETSHRHSD17B10CYP2C9
SCHEMBL5808886 0.71 ALDH1A1 (0.64) ALDH1A1POLBTSHRHSD17B10CYP2C9

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-0630377-A1 TRIAZOLOPYRIMIDINESULFONAMIDES AS HERBICIDES CIBA-GEIGY AG (CH) 1994-12-28 EP disclosed
WO-1993016079-A1 TRIAZOLOPYRIMIDINESULFONAMIDES AS HERBICIDES CIBA-GEIGY AG (CH) 1993-08-19 WO disclosed