SCHEMBL10870130

SCHEMBL10870130

Nc1nc(-c2cc(C(N)C(=O)COc3cccc(CN4CCCCC4)c3)cs2)cs1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 2/20 0.40
▸ HRH3 Q9Y5N1 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GMNN O75496 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ PMP22 Q01453 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ROCK1 Q13464 2/20 0.39
▸ PRKACA P17612 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ THPO P40225 1/20 0.39
▸ MTOR P42345 1/20 0.39

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
SCHEMBL10868918 0.82 NOS1 (0.41) MEN1LMNAMAPTKMT2AROCK1
SCHEMBL10521013 0.81 HRH2 (0.48) HRH2HRH3SMN1; SMN2MEN1GMNN
SCHEMBL10519080 0.77 HRH2 (0.47) HRH2HRH3SMN1; SMN2MEN1GMNN
Oxalic Acid SCHEMBL10622034 0.76 ALDH1A1 (0.46) HRH2HRH3SMN1; SMN2MEN1GMNN
SCHEMBL10623949 0.74 HRH2 (0.47) HRH2HRH3SMN1; SMN2MEN1GMNN
SCHEMBL13574528 0.71 HRH2 (0.56) HRH2HRH3CYP2D6HIF1A
SCHEMBL10518279 0.70 EHMT2 (0.44) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL13293358 0.69 ITGB3 (0.61) HRH2HRH3CYP2D6HIF1A
SCHEMBL10871169 0.69 KDM4B (0.34) MEN1ALDH1A1MAPTKMT2A
SCHEMBL28508095 0.67 PRMT5 (0.53) HRH3CYP2D6HIF1A

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-0183191-A1 Thienylthiazole compounds Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1986-06-04 — — EP disclosed
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