SCHEMBL17255708

SCHEMBL17255708

Cc1nn(-c2ccc(Cl)cc2O)c(C)c1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
OPRM1 P35372 4/20 0.38
ALDH1A1 P00352 4/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CACNA2D1 P54289 1/20 0.37
CACNA2D2 Q9NY47 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
OPRD1 P41143 2/20 0.36
OPRK1 P41145 2/20 0.36
CNR2 P34972 2/20 0.35
GAA P10253 3/20 0.35
KDM4E B2RXH2 3/20 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
SCHEMBL16761056 0.81 CA9 (0.40) LMNACA12CA1CA2CA9
SCHEMBL15442468 0.81 CA12 (0.40) LMNACA12CA1CA2CA9
SCHEMBL27993082 0.81 CASP1 (0.47) LMNACA12CA1CA2CA9
SCHEMBL15442859 0.77 MYC (0.55) LMNACA12CA1CA2CA9
SCHEMBL28102000 0.76 HSD17B10 (0.51) LMNACA12CA1CA2CA9
SCHEMBL17255697 0.76 CA12 (0.43) LMNACA12CA1CA2CA9
SCHEMBL9662604 0.75 LMNA (0.41) LMNACA12CA1CA2CA9
SCHEMBL17255695 0.75 KDM4E (0.66) CA12CA1CA2CA9ALDH1A1
SCHEMBL27993294 0.75 SMN1; SMN2 (0.44) ALDH1A1TSHRTDP1SMN1; SMN2GAA
SCHEMBL15443316 0.74 POLB (0.44) LMNAALDH1A1CYP3A4GAAKDM4E

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
EP-2669274-B1 TOPICAL ANTIFUNGAL AGENT MEIJI SEIKA PHARMA CO LTD (JP) 2015-11-18 EP claimed