SCHEMBL9457482

SCHEMBL9457482

Cc1nc(C)c(Cc2ccc([N+](=O)[O-])cc2)s1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
RAB9A P51151 2/20 0.49
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.46
MAPT P10636 3/20 0.44
CDK2 P24941 1/20 0.44
LMNA P02545 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
ACHE P22303 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ENPP1 P22413 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL9427047 0.87 ALDH1A1 (0.50) POLBRAB9AHTTSMN1; SMN2GAA
SCHEMBL9710287 0.79 POLB (0.46) POLBRAB9AHTTSMN1; SMN2MAPT
SCHEMBL9457601 0.78 KCNH2 (0.47) POLBRAB9AHTTSMN1; SMN2MAPT
SCHEMBL9457588 0.78 RAB9A (0.47) POLBRAB9AHTTSMN1; SMN2GAA
SCHEMBL9710430 0.77 RAB9A (0.44) POLBRAB9AHTTSMN1; SMN2GAA
SCHEMBL9710427 0.77 RAB9A (0.44) POLBRAB9AHTTGAAMAPT
SCHEMBL4834573 0.77 RAB9A (0.51) POLBRAB9AHTTSMN1; SMN2GAA
SCHEMBL4825899 0.74 POLB (0.49) POLBRAB9AGAAMAPTLOXL2
SCHEMBL13844980 0.73 PPARD (0.44) GAAMAPTCDK2NPC1ALDH1A1
SCHEMBL44366 0.73 POLB (0.76) POLBSMN1; SMN2MAPTLMNALOXL2

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
US-5192781-A Cardiovascular LABORATOIRES UPSA (FR) 1993-03-09 US disclosed
WO-1992021666-A1 ANGIOTENSIN II RECEPTOR ANTAGONIST THIAZOLE DEVIVATIVES LABORATOIRES UPSA (FR) 1992-12-10 WO disclosed