SCHEMBL27940494

SCHEMBL27940494

CC(C)(C)C(=O)C(=Cc1cccc([N+](=O)[O-])c1)n1cncn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 1.00
SMN1; SMN2 Q16637 6/20 1.00
HTT P42858 5/20 1.00
NPC1 O15118 5/20 1.00
MAPT P10636 5/20 1.00
LMNA P02545 5/20 1.00
PKM P14618 4/20 1.00
HPGD P15428 3/20 1.00
ATM Q13315 3/20 1.00
XBP1 P17861 2/20 1.00
NPSR1 Q6W5P4 2/20 1.00
TP53 P04637 2/20 1.00
S1PR2 O95136 1/20 1.00
S1PR4 O95977 1/20 1.00
S1PR1 P21453 1/20 1.00
AGTR1 P30556 1/20 1.00
RAB27A P51159 1/20 1.00
PAX8 Q06710 1/20 1.00
POLB P06746 1/20 0.76
MITF O75030 1/20 0.61

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
SCHEMBL27369718 1.00 RAB9A (1.00) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL29430172 1.00 RAB9A (1.00) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL17643531 0.83 MAPT (0.71) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL19188284 0.83 MAPT (0.71) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL19178453 0.82 MAPT (0.69) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL8781975 0.82 MAPT (0.69) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL8781976 0.82 MAPT (0.69) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL17643556 0.82 MAPT (0.69) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL8781969 0.81 MAPT (0.80) RAB9ASMN1; SMN2HTTNPC1MAPT
SCHEMBL8781966 0.81 MAPT (0.80) RAB9ASMN1; SMN2HTTNPC1MAPT

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-102633791-B Application of 4-alkyl-6-aryl-5-(1,2,4-triazole-1-yl)-2-amino-1,3-thiazine to preparation of antidepressants UNIV HUNAN 2014-03-12 CN disclosed