SCHEMBL7435843

SCHEMBL7435843

CNCCc1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UBE2T Q9NPD8 1/20 0.56
ASIC3 Q9UHC3 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 2/20 0.53
ALOX15 P16050 1/20 0.53
PDE10A Q9Y233 1/20 0.53
RAB9A P51151 4/20 0.51
HPGD P15428 3/20 0.51
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
NPC1 O15118 3/20 0.49
MAPK1 P28482 1/20 0.49

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
SCHEMBL7265353 0.90 SMN1; SMN2 (0.57) UBE2TASIC3SMN1; SMN2HTTALOX15
Bromide SCHEMBL7267208 0.89 SMN1; SMN2 (0.56) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL7266118 0.87 SMN1; SMN2 (0.55) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL7265601 0.87 SMN1; SMN2 (0.55) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL23374667 0.83 UBE2T (0.53) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL19372016 0.83 UBE2T (0.70) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL3248384 0.82 UBE2T (0.59) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL12511 0.80 UBE2T (0.61) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL23374663 0.80 UBE2T (0.49) UBE2TASIC3SMN1; SMN2HTTALOX15
SCHEMBL17050824 0.80 SMN1; SMN2 (0.57) SMN1; SMN2HTTALOX15PDE10ARAB9A

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-4874760-A CALCIUM ANTAGONISTS TOA EIYO, LTD. (JP) 1989-10-17 US disclosed
EP-0277701-A1 Thiazolopyridine derivative, their production and cardiovascular treating agents containing them TOA EIYO LTD. (JP) 1988-08-10 EP disclosed