SCHEMBL27377635

SCHEMBL27377635

Nc1c(Cc2ccccc2C(F)(F)F)csc1Cl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.48
IDO1 P14902 2/20 0.42
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
AR P10275 1/20 0.36
MAOB P27338 3/20 0.35
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
EGFR P00533 1/20 0.33
CNR1 P21554 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
MPL P40238 1/20 0.33

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
SCHEMBL27383032 0.76 GABRA1 (0.34) LTA4H
SCHEMBL27383034 0.76 LTA4H (0.46) LTA4HALDH1A1KDM4EARTDP1
SCHEMBL15637377 0.73 IDO1 (0.48) LTA4HIDO1ALDH1A1KDM4EATM
SCHEMBL23144898 0.72 IDO1 (0.49) LTA4HIDO1ALDH1A1KDM4EATM
SCHEMBL27501099 0.72 LTA4H (0.42) LTA4HIDO1ALDH1A1KDM4EATM
SCHEMBL23960285 0.70 MPL (0.32) POLBMPL
Hydrochloric Acid SCHEMBL23927267 0.69 MPL (0.31) IDO1POLBMPL
SCHEMBL22231732 0.69 IDO1 (0.41) LTA4HIDO1ALDH1A1KDM4EATM
SCHEMBL1861219 0.68 IDO1 (0.43) LTA4HIDO1ALDH1A1KDM4EATM
SCHEMBL22231996 0.68 IDO1 (0.41) LTA4HIDO1ALDH1A1KDM4EATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1081638-C Thienopyrimidine compounds MERCK PATENT GMBH (DE) 2002-03-27 CN disclosed
CN-1227560-A Thienopyrimidines MERCK PATENT GMBH (DE) 1999-09-01 CN disclosed