SCHEMBL28778797

SCHEMBL28778797

Cc1ccccc1C(=O)OCN(C)c1ncc([N+](=O)[O-])cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KMT2A Q03164 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RORC P51449 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ F2 P00734 1/20 0.39
▸ PLAU P00749 1/20 0.39
▸ ELANE P08246 1/20 0.39
▸ MAPK13 O15264 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37

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
SCHEMBL2129386 0.71 LMNA (0.44) KMT2AALDH1A1SMN1; SMN2MEN1POLB
SCHEMBL2128489 0.71 MAPT (0.48) KMT2AALDH1A1RAB9ASMN1; SMN2MEN1
SCHEMBL6755746 0.70 POLB (0.53) L3MBTL1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11544080 0.69 ALDH1A1 (0.60) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
Dinitrophenylene SCHEMBL28013915 0.68 SMN1; SMN2 (0.58) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27903552 0.67 ALDH1A1 (0.50) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL9593080 0.67 MAPT (0.53) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL6756625 0.66 TP53 (0.45) L3MBTL1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5173228 0.65 MAPK13 (0.61) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11541402 0.65 ALDH1A1 (0.48) KMT2AALDH1A1MEN1TDP1MAPT

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-101511813-A Heterocyclic FXR binding compounds PHENEX PHARMACEUTICALS AG (DE) 2009-08-19 — — CN disclosed
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