SCHEMBL9833430

SCHEMBL9833430

CCCCCN1CCC=C(c2csc(NC(C)=O)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.42
EGFR P00533 3/20 0.42
TYR P14679 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
Hydrochloric Acid SCHEMBL10698643 0.96 DHFR (0.42) DHFREGFRTYR
SCHEMBL9835802 0.92 ABL1 (0.45) DHFREGFRTYR
SCHEMBL10698179 0.88 TYR (0.45) TYRKDM4ENPC1MAPK1HSD17B10
SCHEMBL9833630 0.85
SCHEMBL10697938 0.82 TYR (0.41) DHFREGFRTYRKDM4ENPC1
SCHEMBL9835839 0.82
SCHEMBL10697362 0.82 KDM4E (0.43) DHFREGFRTYRKDM4ENPC1
SCHEMBL9834620 0.80 NPC1 (0.41) NPC1
SCHEMBL10699088 0.80 MMP2 (0.52) TYRKDM4ENPC1MAPK1HSD17B10
SCHEMBL10696683 0.79 ABL1 (0.55) TYR

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 7 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
US-4739067-A NERVOUS SYSTEM, PSYCHOLOGICAL DISORDERS, HYPOTENSIVE AGENT, HORMONE INHIBITORS WARNER-LAMBERT COMPANY (US) 1988-04-19 US 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