SCHEMBL7808657

SCHEMBL7808657

FC(F)(F)c1cccc(OCc2nc3ccc(Sc4ccncc4)cc3[nH]2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ RAB9A P51151 4/20 0.44
▸ NPC1 O15118 3/20 0.43
▸ TP53 P04637 3/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ BRS3 P32247 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ PDE10A Q9Y233 1/20 0.39
▸ KIT P10721 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL7808651 0.92 RAB9A (0.43) MAOBRAB9ANPC1TP53SMN1; SMN2
SCHEMBL7801842 0.91 MAOB (0.45) MAOBRAB9ANPC1TP53SMN1; SMN2
SCHEMBL7801873 0.85 RAB9A (0.60) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL8480233 0.84 RAB9A (0.59) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL7808670 0.84 RAB9A (0.51) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL7801840 0.82 RAB9A (0.38) MAOBRAB9ANPC1TP53SMN1; SMN2
SCHEMBL8477412 0.82 RAB9A (0.62) MAOBRAB9ANPC1TP53SMN1; SMN2
SCHEMBL7808627 0.81 MAOB (0.47) MAOBRAB9ANPC1TP53SMN1; SMN2
SCHEMBL7688877 0.79 RAB9A (0.67) RAB9ANPC1TP53SMN1; SMN2ALDH1A1
SCHEMBL7807124 0.79 RAB9A (0.53) RAB9ANPC1TP53SMN1; SMN2ALDH1A1

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-0820990-B1 Benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR (FR) 2001-01-17 — — EP disclosed
US-5972968-A INTERLEUKIN INHIBITOR ADIR ET COMPAGNIE (FR) 1999-10-26 — — US disclosed
EP-0820990-A2 Novel benzimidazole, benzoxazole, and benzothiazole derivatives useful as interleukin 1beta inhibitors ADIR ET COMPAGNIE (FR) 1998-01-28 — — EP disclosed
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