SCHEMBL8874167

SCHEMBL8874167

O=[N+]([O-])c1ccc(-c2nc3ccccn3c2Br)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ NPC1 O15118 4/20 0.53
▸ MEN1 O00255 4/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ MARK4 Q96L34 5/20 0.50
▸ MAPT P10636 4/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ NPSR1 Q6W5P4 2/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ RAD51 Q06609 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ PTGS2 P35354 1/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CFTR P13569 1/20 0.42

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
SCHEMBL25414634 0.83 KMT2A (0.74) KMT2ARAB9AALDH1A1NPC1MEN1
SCHEMBL8873874 0.81 NPC1 (0.71) RAB9AALDH1A1NPC1SMN1; SMN2MARK4
SCHEMBL973109 0.80 NPC1 (0.64) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL22342514 0.79 ALDH1A1 (0.54) KMT2ARAB9AALDH1A1NPC1MEN1
SCHEMBL15825411 0.78 ALDH1A1 (0.62) KMT2ARAB9AALDH1A1NPC1MEN1
SCHEMBL18221717 0.78 NPC1 (0.63) RAB9AALDH1A1NPC1SMN1; SMN2MARK4
SCHEMBL28669282 0.78 KDM4E (0.58) KMT2ARAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL8874527 0.78 PTGS2 (0.57) RAB9AALDH1A1NPC1SMN1; SMN2MAPT
SCHEMBL19314578 0.78 NPC1 (0.59) KMT2ARAB9AALDH1A1NPC1MEN1
SCHEMBL1428632 0.77 NPC1 (0.55) RAB9AALDH1A1NPC1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 — — US claimed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 — — EP claimed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 — — WO claimed
US-5658857-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-08-19 — — US disclosed
EP-0683779-A1 IMIDAZOAZINES BAYER AG (DE) 1995-11-29 — — EP disclosed
WO-1994018198-A1 IMIDAZOAZINES BAYER AKTIENGESELLSCHAFT (DE) 1994-08-18 — — WO disclosed
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