SCHEMBL7297701

SCHEMBL7297701

Clc1ccc(N2CCC3CCSc4sccc4C3=N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.33
NPC1 O15118 1/20 0.33
HTT P42858 3/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MAPK1 P28482 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
SCHEMBL7290309 0.78 ALDH1A1 (0.41) ALDH1A1LMNAMAPTHPGDNPC1
SCHEMBL8578287 0.71 NPC1 (0.38) ALDH1A1MAPTNPC1MAPK1
SCHEMBL8578786 0.70 KDM4E (0.61) ALDH1A1LMNAMAPTNPC1HTT
SCHEMBL8607073 0.69 KDM4E (0.49) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL7299533 0.68 ALDH1A1 (0.39) ALDH1A1LMNAMAPTHPGDNPC1
SCHEMBL8122081 0.68 ALDH1A1 (0.42) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL8124327 0.68 KDM4E (0.40) ALDH1A1MAPTHPGDNPC1MAPK1
SCHEMBL8123737 0.68 ALDH1A1 (0.42) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL8127824 0.66 KCNH2 (0.39) ALDH1A1LMNAMAPTNPC1MAPK1
SCHEMBL8124724 0.65 KDM4E (0.38) ALDH1A1LMNAMAPTHPGDNPC1

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-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP disclosed