SCHEMBL29664282

SCHEMBL29664282

N#Cc1ccc2c(c1)C1(CC2)SC=CS1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.53
PNMT P11086 5/20 0.40
DRD2 P14416 4/20 0.40
DRD3 P35462 4/20 0.40
TRPA1 O75762 1/20 0.34
BACE1 P56817 5/20 0.34
PDK2 Q15119 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
SCHEMBL23782971 0.83 KDM1A (0.53) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL26892628 0.74 KDM1A (0.57) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL29618370 0.74 KDM1A (0.57) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL23782794 0.74 KDM1A (0.57) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL26889683 0.70 KDM1A (0.53) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL19764445 0.69 KDM1A (0.72) KDM1APNMTDRD2DRD3BACE1
SCHEMBL17987998 0.69 KDM1A (1.00) KDM1A
SCHEMBL26890365 0.65 KDM1A (0.47) KDM1APNMTDRD2DRD3BACE1
SCHEMBL4808214 0.63 KDM1A (0.49) KDM1APNMTDRD2DRD3TRPA1
SCHEMBL28875599 0.63 KDM1A (0.49) KDM1APNMTDRD2DRD3TRPA1

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
WO-2022121805-A1 FUSED RING COMPOUND AS NAV1.8 INHIBITOR AND USE THEREOF 成都康弘药业集团股份有限公司 2022-06-16 WO disclosed