SCHEMBL16554452

SCHEMBL16554452

COc1ncc(NNC(=O)c2cccc(Br)c2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ KAT6A Q92794 2/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ MAPT P10636 4/20 0.43
▸ GRM5 P41594 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ CASP3 P42574 1/20 0.42
▸ SENP8 Q96LD8 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP6 Q9GZR1 1/20 0.42
▸ BCL6 P41182 1/20 0.42
▸ ALPL P05186 1/20 0.41
▸ HPGD P15428 1/20 0.41

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
SCHEMBL16554480 0.88 MEN1 (0.49) NPC1RAB9AKAT6ASMN1; SMN2MEN1
SCHEMBL16554515 0.88 RAB9A (0.54) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16554400 0.87 SMN1; SMN2 (0.52) NPC1RAB9AKAT6ASMN1; SMN2KMT2A
SCHEMBL16554932 0.87 ALDH1A1 (0.48) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16554719 0.87 PTGS2 (0.53) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16554555 0.86 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16554423 0.85 MEN1 (0.49) NPC1RAB9AKAT6ASMN1; SMN2MEN1
SCHEMBL16554955 0.85 KCNQ3 (0.42) SMN1; SMN2ALDH1A1MAPTLMNAHPGD
SCHEMBL16554428 0.85 ALDH1A1 (0.41) NPC1SMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL16554310 0.84 KMT2A (0.51) NPC1RAB9AKAT6ASMN1; SMN2MEN1

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
WO-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 — — WO claimed
WO-2015034271-A1 NOVEL ANTIFUNGAL PYRIDINYLHYDRAZIDE DERIVATIVES DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-03-12 — — WO disclosed
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