SCHEMBL7801842

SCHEMBL7801842

FC(F)(F)c1cc(OCc2nc3ccc(Sc4ccncc4)cc3[nH]2)cc(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.45
▸ BRS3 P32247 1/20 0.42
▸ RAB9A P51151 7/20 0.41
▸ NPC1 O15118 6/20 0.38
▸ SMN1; SMN2 Q16637 5/20 0.38
▸ TP53 P04637 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL7801840 0.92 RAB9A (0.38) MAOBBRS3RAB9ANPC1SMN1; SMN2
SCHEMBL7808657 0.91 MAOB (0.45) MAOBBRS3RAB9ANPC1SMN1; SMN2
SCHEMBL7808670 0.86 RAB9A (0.51) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7808627 0.84 MAOB (0.47) MAOBRAB9ANPC1SMN1; SMN2TP53
SCHEMBL7801873 0.83 RAB9A (0.60) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7808651 0.82 RAB9A (0.43) MAOBBRS3RAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL8480233 0.82 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53ALDH1A1
SCHEMBL7810782 0.81 SMN1; SMN2 (0.57) BRS3RAB9ANPC1SMN1; SMN2TP53
SCHEMBL7807192 0.81 RAB9A (0.58) MAOBBRS3RAB9ANPC1SMN1; SMN2
SCHEMBL8477412 0.81 RAB9A (0.62) MAOBRAB9ANPC1SMN1; SMN2TP53

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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