SCHEMBL5795609

SCHEMBL5795609

CN(C(O)=S)c1cccc(Cl)c1F

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.37
POLB P06746 1/20 0.35
NOTUM Q6P988 1/20 0.35
POLQ O75417 1/20 0.34
GAA P10253 2/20 0.33
GPBAR1 Q8TDU6 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
PTGIR P43119 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
KMO O15229 2/20 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
SCHEMBL5798129 0.83 TSHR (0.39) POLBGAAFAAHPHGDHMGLL
SCHEMBL10946000 0.82 POLB (0.42) POLBGPBAR1FAAHPHGDHMGLL
SCHEMBL5797620 0.81 LMNA (0.40) POLB
SCHEMBL20844391 0.78 GAA (0.43) CFDNOTUMGAACYP11B1CYP11B2
SCHEMBL5798051 0.76 FAAH (0.41) POLBGAAFAAHPHGDHMGLL
SCHEMBL27937999 0.76 GPBAR1 (0.46) POLBGPBAR1
SCHEMBL8525837 0.76 CYP1A2 (0.36) CFDNOTUMGAAPTGIRKMO
SCHEMBL10942138 0.75 DDB1 (0.40) POLBGPBAR1FAAHPHGDHMGLL
SCHEMBL5794697 0.74 HSD17B1 (0.44) GAAFAAHPHGDHMGLLCA12
SCHEMBL27938010 0.74 GPBAR1 (0.44) POLBGPBAR1

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