SCHEMBL9844100

SCHEMBL9844100

NC(=O)C(Oc1csnn1)C(F)Cl

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9671212 0.88 ALDH1A1 (0.32) ALDH1A1NPC1RAB9A
SCHEMBL8110384 0.81 ALDH1A1 (0.34) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL8108909 0.81 NPC1 (0.33) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL11173188 0.71
SCHEMBL3242462 0.68 ALDH1A1 (0.38) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL28095620 0.65 ALDH1A1 (0.37) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL10772449 0.64
SCHEMBL9844108 0.63 NPC1 (0.32) ALDH1A1ATML3MBTL1NPC1RAB9A
SCHEMBL3661916 0.63 ALDH1A1 (0.34) ALDH1A1ATML3MBTL1
SCHEMBL9785775 0.61 MEN1 (0.30) ALDH1A1

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
EP-0443164-A1 Chlorofluoromethyl-thiadiazolyloxyacetic acidamide BAYER AG (DE) 1991-08-28 EP disclosed