SCHEMBL9833548

SCHEMBL9833548

Nc1nc(C2CCCC=N2)cs1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALOX15 P16050 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 3/20 0.42
ALDH1A1 P00352 4/20 0.37
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
NOS1 P29475 1/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL2374371 0.71 RAB9A (0.53) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL1794807 0.71 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL965277 0.70
SCHEMBL1801634 0.69 HSD17B10 (0.51) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL20401789 0.66 RAB9A (0.47) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL10591914 0.66 HSD17B10 (0.44) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL30555379 0.66 RAB9A (0.47) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL8221171 0.66 RAB9A (0.47) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E
SCHEMBL4034677 0.66
SCHEMBL4296593 0.64 RAB9A (0.47) SMN1; SMN2RAB9AHSD17B10ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP claimed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP claimed
EP-0234011-B1 4-(1,2,5,6-TETRAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES AND 4-(HEXAHYDRO-1-ALKYL-3-PYRIDINYL)-2-THIAZOLAMINES WARNER-LAMBERT COMPANY (US) 1991-09-18 EP disclosed
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US disclosed
EP-0234011-A1 4-(1,2,5,6-tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines WARNER-LAMBERT COMPANY (US) 1987-09-02 EP disclosed
US-4650805-A 4-(1,2,5,6-Tetrahydro-1-alkyl-3-pyridinyl)-2-thiazolamines and 4-(hexahydro-1-alkyl-3-pyridinyl)-2-thiazolamines having anti-psychotic activity WARNER-LAMBERT COMPANY (US) 1987-03-17 US disclosed