SCHEMBL18401408

SCHEMBL18401408

C=C/C=C\C(=C/C)Nc1cccc(Cl)c1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ LMNA P02545 3/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ MAPT P10636 5/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ POLB P06746 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ BLM P54132 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ PKM P14618 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32

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
SCHEMBL18401947 0.84 KMT2A (0.35) KMT2AL3MBTL1LMNAMALT1MAPT
SCHEMBL18765136 0.76 TGM2 (0.48) KMT2AL3MBTL1MALT1MAPTALDH1A1
SCHEMBL27905696 0.70 ALDH1A1 (0.41) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL31123135 0.70 ALDH1A1 (0.46) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL1848788 0.70 ALDH1A1 (0.46) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL28432763 0.70 MAPK1 (0.39) KMT2AL3MBTL1LMNAMALT1MAPT
SCHEMBL22268029 0.69 GAA (0.42) KMT2ALMNAMAPTHPGDMAPK1
SCHEMBL11155455 0.68 KMT2A (0.48) KMT2AL3MBTL1LMNAMAPTALDH1A1
SCHEMBL17926417 0.68 ALDH1A1 (0.66) KMT2AL3MBTL1MAPTALDH1A1POLB
SCHEMBL1917733 0.68 TSHR (0.51) KMT2AL3MBTL1LMNAMAPTALDH1A1

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
US-9550724-B2 Diphenylamine compounds and production method thereof IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2017-01-24 — — US disclosed
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