SCHEMBL9394258

SCHEMBL9394258

C=CCc1nnc(CCl)o1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
NOTUM Q6P988 1/20 0.34

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
SCHEMBL367218 0.73
SCHEMBL11328919 0.70 ALDH1A1 (0.35) ALDH1A1LMNANOTUM
SCHEMBL11321465 0.70 SMN1; SMN2 (0.46) ALDH1A1LMNANOTUM
SCHEMBL2040652 0.69
SCHEMBL9961014 0.65 NOTUM (0.61) ALDH1A1LMNANOTUM
SCHEMBL9591780 0.64
SCHEMBL19899533 0.64
SCHEMBL2037956 0.61 ALDH1A1 (0.36) ALDH1A1LMNANOTUM
SCHEMBL11333433 0.60
SCHEMBL11335826 0.60 ALDH1A1 (0.39) ALDH1A1LMNANOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6135950-A None JP disclosed
JP-H06135950-A PRODUCTION OF OXADIAZOLE DERIVATIVE TORAY IND INC 1994-05-17 JP disclosed
US-4267338-A INTERMEDIATES IN THE PRODUCTION OF N-AZOLYLALKYL-HALOGENOACETANILIDE HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-05-12 US disclosed
EP-0003539-B1 N-AZOLYLALKYL-HALOGENOACETANILIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-04-08 EP disclosed
EP-0003540-B1 N-AZOLYLALKYL ANILINES AND PROCESS FOR THEIR PREPARATION BAYER AG (DE) 1980-10-01 EP disclosed