SCHEMBL10519080

SCHEMBL10519080

Nc1nc(-c2cc(CNC(=O)CCOc3cccc(CN4CCCCC4)c3)cs2)cs1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.47
▸ HRH3 Q9Y5N1 1/20 0.47
▸ ROCK1 Q13464 2/20 0.45
▸ PRKACA P17612 1/20 0.45
▸ FAAH O00519 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GMNN O75496 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PMP22 Q01453 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10521013 0.92 HRH2 (0.48) HRH2HRH3ROCK1PRKACAMEN1
SCHEMBL10518550 0.83 TSHR (0.56) HRH2MEN1ALDH1A1LMNAMAPT
SCHEMBL10519858 0.83 TSHR (0.43) ROCK1PRKACAMEN1ALDH1A1MAPT
Oxalic Acid SCHEMBL10622034 0.79 ALDH1A1 (0.46) HRH2HRH3ROCK1PRKACAMEN1
SCHEMBL10623949 0.78 HRH2 (0.47) HRH2HRH3ROCK1PRKACAMEN1
SCHEMBL10870130 0.77 HRH2 (0.40) HRH2HRH3ROCK1PRKACAMEN1
SCHEMBL10518226 0.74 KMT2A (0.54) HRH2MEN1ALDH1A1LMNAMAPT
SCHEMBL10518279 0.74 EHMT2 (0.44) HRH3ALDH1A1LMNAMAPTSMN1; SMN2
SCHEMBL10518291 0.72 ALDH1A1 (0.45) HRH2ROCK1MEN1ALDH1A1LMNA
SCHEMBL10520446 0.72 ALDH1A1 (0.42) HRH2MEN1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP disclosed
US-4720493-A Thienylthiazole compounds YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1988-01-19 — — US disclosed
EP-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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