SCHEMBL28853705

SCHEMBL28853705

O=c1[nH]c(=O)c2cc(O)c(O)cc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.67
PRKACA P17612 4/20 0.56
PRKACG P22612 4/20 0.56
PRKACB P22694 4/20 0.56
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CA12 O43570 2/20 0.47
CA9 Q16790 2/20 0.47
PARP1 P09874 1/20 0.47
GPR35 Q9HC97 3/20 0.43
GAA P10253 1/20 0.40
GLI1 P08151 1/20 0.38
GLI2 P10070 1/20 0.38
DAO P14920 3/20 0.38
DDO Q99489 2/20 0.38
TYMP P19971 1/20 0.38

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
SCHEMBL7987496 0.80 SRC (1.00) SRCPRKACAPRKACGPRKACBPARP1
SCHEMBL24931754 0.80 KDM4E (0.75) SRCKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL17434450 0.75 CA12 (0.54) SRCKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL7034913 0.74 KDM4E (0.53) SRCPRKACAKDM4EALDH1A1HPGD
SCHEMBL8142797 0.74 KDM4E (0.58) KDM4EALDH1A1HPGDSMN1; SMN2CA12
SCHEMBL3426314 0.74 KDM4E (0.53) SRCKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL3669922 0.74 GRIN2D (0.54) KDM4EALDH1A1HPGDSMN1; SMN2CA12
SCHEMBL7984052 0.74 SRC (0.71) SRCPRKACAPRKACGPRKACBKDM4E
SCHEMBL3883791 0.73 SRC (1.00) SRCPRKACAPRKACGPRKACBGPR35
SCHEMBL13671666 0.72 SRC (0.44) SRCKDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104884460-B 2-substituted Cephem compounds 葛兰素集团有限公司 2017-11-03 CN disclosed