SCHEMBL27763564

SCHEMBL27763564

Clc1csc(CCc2ccccc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 2/20 0.57
LTB4R Q15722 3/20 0.49
NOS1 P29475 1/20 0.40
MAOA P21397 4/20 0.38
MAOB P27338 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 2/20 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
SCHEMBL27705964 0.82 LTB4R (0.46) DAOLTB4RSMN1; SMN2NPC1RAB9A
SCHEMBL28521994 0.78 DAO (0.59) DAOLTB4RNOS1MAOAMAOB
SCHEMBL8225698 0.77 DAO (0.57) DAOLTB4RNOS1MAOAMAOB
SCHEMBL1244005 0.76 DAO (0.60) DAOLTB4RNOS1MAOAMAOB
SCHEMBL1243895 0.73 DAO (0.57) DAOLTB4RNOS1MAOAMAOB
SCHEMBL28528770 0.73 DAO (0.57) DAOLTB4RNOS1MAOAMAOB
SCHEMBL1244006 0.73 DAO (0.53) DAOLTB4RMAOBNPC1RAB9A
SCHEMBL13841376 0.71
SCHEMBL23487472 0.70 MAOA (0.46) MAOAMAOBSMN1; SMN2ALDH1A1HPGD
SCHEMBL8196751 0.69 SIGMAR1 (0.58) MAOAMAOBCYP1A2ALDH1A1HPGD

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-101573364-A Process for the preparation of 4-hydroxythieno [2, 3-b ] pyridine-5-carbonitriles WYETH CORP (US) 2009-11-04 CN disclosed