SCHEMBL10842466

SCHEMBL10842466

COc1ccc(-c2nnc3cc(C)c4cc([N+](=O)[O-])ccc4n23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ CHEK1 O14757 1/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPK1 P28482 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ NPBWR1 P48145 1/20 0.42
▸ NFKB2 Q00653 1/20 0.42
▸ RELA Q04206 1/20 0.42
▸ SAE1 Q9UBE0 1/20 0.42
▸ UBA2 Q9UBT2 1/20 0.42
▸ CRHBP P24387 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
SCHEMBL10841715 0.89 THRB (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10842650 0.86 NPSR1 (0.53) MEN1KMT2ASMN1; SMN2MAPTLMNA
SCHEMBL10842811 0.84 NPBWR1 (0.42) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10841737 0.83 THRB (0.61) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10842636 0.80 POLB (0.51) MEN1KMT2ASMN1; SMN2CHEK1RAB9A
SCHEMBL13844340 0.68 RAB9A (0.54) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6118115 0.67 SCN5A (0.45) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL10842419 0.67 KDM4E (0.36) MEN1KMT2ASMN1; SMN2CHEK1NPC1
SCHEMBL3974325 0.67 APP (0.74) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL2455303 0.67 APP (0.74) MEN1KMT2ASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0174833-A2 Triazoloquinoline derivatives MAY & BAKER LIMITED (GB) 1986-03-19 — — EP disclosed
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