SCHEMBL9786587

SCHEMBL9786587

Cc1[nH]c(=O)[nH]c1C(=S)Nc1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.50
▸ ALDH1A1 P00352 4/20 0.50
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 1/20 0.44
▸ LMNA P02545 3/20 0.41
▸ MAOB P27338 2/20 0.40
▸ IDO1 P14902 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ SMN1; SMN2 Q16637 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
SCHEMBL9786648 0.83 LMNA (0.42) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL7440158 0.76 PDE4A (0.45) MAPTALDH1A1KMT2ALMNAGAA
SCHEMBL7339645 0.71 PDE4A (0.67) ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL9786655 0.71 GAA (0.41) GAA
SCHEMBL10927097 0.67 SLC22A12 (0.53) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL24430207 0.67 ALDH1A1 (1.00) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL10923793 0.67 KMT2A (0.44) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL9786585 0.66 RAB9A (0.61) MAPTALDH1A1MEN1KMT2AGAA
SCHEMBL11738124 0.65 MEN1 (0.62) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL10099725 0.64 GAA (0.83) MAPTALDH1A1MEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5002961-A Antiischemic Agents, Preventing Reperfusion Injuries MERRELL DOW PHARMACEUTICALS (US) 1991-03-26 — — US disclosed
EP-0312960-A2 Method for reducing reperfusion injury with imidazol-2-thione-carboxamides MERRELL DOW PHARMACEUTICALS INC. (US) 1989-04-26 — — EP disclosed
Send feedback