SCHEMBL28229252

SCHEMBL28229252

Cc1cc2c(C#N)cccc2n1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NOTUM Q6P988 1/20 0.36
VCP P55072 1/20 0.35
PGR P06401 2/20 0.35
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
ALDH1A1 P00352 5/20 0.35
AR P10275 2/20 0.35
HTT P42858 2/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SLC22A12 Q96S37 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28484148 0.81 IMPDH2 (0.43) IMPDH2TSHRKDM4EVCPALDH1A1
SCHEMBL28229271 0.76 CYP1A2 (0.42) KDM4EALDH1A1CA1CA2MEN1
SCHEMBL31487098 0.70 GAA (0.47) KDM4EALDH1A1HTTSMN1; SMN2GAA
SCHEMBL28229272 0.69 CYP1A2 (0.35) IMPDH2TSHRKDM4EALDH1A1AR
SCHEMBL1429109 0.66 HPGD (0.54) IMPDH2KDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL506644 0.66 IMPDH2 (0.59) IMPDH2TSHRKDM4ENR3C1NR3C2
SCHEMBL3220763 0.66 IMPDH2 (0.42) IMPDH2TSHRKDM4EPGRNR3C1
SCHEMBL28164512 0.66 NOTUM (0.39) IMPDH2TSHRKDM4ENOTUMALDH1A1
SCHEMBL45954 0.65 CA1 (0.54) IMPDH2TSHRKDM4EALDH1A1AR
SCHEMBL29489124 0.65 CA1 (0.54) IMPDH2TSHRKDM4EALDH1A1AR

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-108349949-A N- substituted indole derivatives as PGE2 receptor modulators 爱杜西亚药品有限公司 2018-07-31 CN disclosed