SCHEMBL5794697

SCHEMBL5794697

Cc1c(F)cccc1N(C)C(O)=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
ALDH1A1 P00352 3/20 0.38
GAA P10253 1/20 0.38
STS P08842 1/20 0.38
SIGMAR1 Q99720 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.33
FAAH O00519 1/20 0.32
PHGDH O43175 1/20 0.32
MGLL Q99685 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPT P10636 2/20 0.32
TDP1 Q9NUW8 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
SCHEMBL10942138 0.82 DDB1 (0.40) ALDH1A1SMN1; SMN2KDM4EFAAHPHGDH
SCHEMBL2096466 0.81 HSD17B1 (0.50) HSD17B1HSD17B2ALDH1A1GAASTS
SCHEMBL10944592 0.81 MAPT (0.44) ALDH1A1SIGMAR1SMN1; SMN2FAAHPHGDH
SCHEMBL2096463 0.78 HSD17B1 (0.53) HSD17B1HSD17B2GAASTSSIGMAR1
SCHEMBL5797620 0.78 LMNA (0.40) ALDH1A1MAPTLMNA
SCHEMBL22699132 0.76 MAPT (0.44) HSD17B1HSD17B2ALDH1A1GAASTS
SCHEMBL2091852 0.75 HSD17B1 (0.45) HSD17B1HSD17B2ALDH1A1GAASTS
SCHEMBL5795609 0.74 CFD (0.37) GAAFAAHPHGDHMGLLCA12
SCHEMBL14291898 0.74 HSD17B1 (0.44) HSD17B1HSD17B2STSSMN1; SMN2ESR1
SCHEMBL2091850 0.74 HSD17B1 (0.44) HSD17B1HSD17B2ALDH1A1STSSMN1; 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
WO-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO claimed