SCHEMBL27918087

SCHEMBL27918087

COCCOc1ccc(C(=O)Nc2ccc(OCc3cccc(Br)c3)cc2)c(O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.65
▸ MAOA P21397 6/20 0.65
▸ KLKB1 P03952 2/20 0.53
▸ PARP15 Q460N3 3/20 0.53
▸ PARP10 Q53GL7 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ PARP14 Q460N5 1/20 0.48
▸ MET P08581 1/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ PSMD14 O00487 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL27918216 0.88 NPC1 (0.62) MAOBKLKB1NPC1MAPTRAB9A
SCHEMBL27936605 0.88 MAOB (0.65) MAOBMAOAKLKB1NPC1MAPT
SCHEMBL27936544 0.85 MAPT (0.60) MAOBMAOAKLKB1NPC1MAPT
SCHEMBL27936581 0.82 KLKB1 (0.78) KLKB1MET
SCHEMBL27918218 0.81 KLKB1 (0.56) MAOBKLKB1NPC1MAPTRAB9A
SCHEMBL3302570 0.80 MAOB (0.73) MAOBMAOAPARP15PARP10NPC1
SCHEMBL13298042 0.80 MAOB (0.77) MAOBMAOAPARP15PARP10NPC1
SCHEMBL27918116 0.76 FADS1 (0.65) MAOBMAOAKLKB1NPC1MAPT
SCHEMBL3301580 0.76 MAOB (0.78) MAOBMAOAPARP15PARP10PARP14
SCHEMBL31580963 0.74 MAOB (0.77) MAOBMAOAPARP15PARP10NPC1

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
CN-103304438-A N-substituted salicylamide type compound as well as preparation method and application thereof UNIV SHANDONG 2013-09-18 — — CN claimed
CN-103304438-B N-substituted salicylamide compounds, preparation method and application SHANDONG UNIVERSITY (CN) 2015-12-02 — — CN disclosed
CN-103304438-A N-substituted salicylamide type compound as well as preparation method and application thereof UNIV SHANDONG 2013-09-18 — — CN disclosed
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