SCHEMBL9518032

SCHEMBL9518032

CCCc1csc(/C=C/c2cccc(N)c2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.46
HDAC6 Q9UBN7 5/20 0.46
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
CYP19A1 P11511 5/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
GFER P55789 1/20 0.43
NPSR1 Q6W5P4 1/20 0.36
KDM1A O60341 2/20 0.36

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
SCHEMBL9518039 1.00 HDAC1 (0.46) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9260315 0.76 ALB (0.49) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL5777449 0.76 ALB (0.49) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9261529 0.73 RAB9A (0.51) NPC1MAPTNPSR1
SCHEMBL9261523 0.73 RAB9A (0.51) NPC1MAPTNPSR1
SCHEMBL9514841 0.73 CYP19A1 (0.54) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL5777558 0.73 CYP19A1 (0.54) CYP19A1MAOAMAOBNPC1MAPT
SCHEMBL9516926 0.73 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9516929 0.73 HDAC1 (0.52) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL9271006 0.72 MAPT (0.46) CYP19A1MAOAMAOBNPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219436-B1 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI CHEM IND (JP) 1993-12-22 EP disclosed
US-4902700-A Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1990-02-20 US disclosed
EP-0219436-A2 Thiazole derivative and leukotriene antagonist containing the same as the effective ingredients MITSUBISHI KASEI CORPORATION (JP) 1987-04-22 EP disclosed