SCHEMBL31612936

SCHEMBL31612936

O=[N+]([O-])c1ccc(-c2cc(-c3ccc4c(c3)CC4)cc(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HRH4 Q9H3N8 1/20 0.45
▸ RAB9A P51151 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ MYC P01106 1/20 0.44
▸ MAX P61244 1/20 0.44
▸ MCL1 Q07820 2/20 0.44
▸ RAD51 Q06609 1/20 0.42
▸ ADRA2A P08913 1/20 0.41
▸ PNMT P11086 1/20 0.41
▸ LTB4R Q15722 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ PSD A5PKW4 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40

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
SCHEMBL30452206 0.84 MCL1 (0.56) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15227091 0.78 MCL1 (0.61) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15829570 0.76 PIK3CA (0.53) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL15829557 0.76 ACHE (0.60) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL27843348 0.75 MCL1 (0.70) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL12379603 0.74 TDP2 (0.59) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL30709850 0.74 PNMT (0.65) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL9483063 0.74 PNMT (0.65) MAPTKMT2AMEN1ALDH1A1RAB9A
SCHEMBL14061819 0.74 CYP1A2 (0.51) MAPTKMT2AMEN1RAB9AADRA2A
SCHEMBL4346876 0.73 APP (0.57) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2

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
CN-120118312-A Cross-linked polyimide with triphenylpyridine structure side group and preparation method thereof 复旦大学 2025-06-10 — — CN disclosed
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