SCHEMBL27720125

SCHEMBL27720125

O=Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSPB1 P04792 4/20 0.58
▸ ALDH1A1 P00352 5/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 4/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MYOC Q99972 1/20 0.44
▸ ERN1 O75460 1/20 0.44
▸ HIF1A Q16665 1/20 0.44
▸ HTT P42858 1/20 0.43
▸ SRD5A2 P31213 1/20 0.43
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ POLB P06746 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
SCHEMBL16814441 0.82 HSPB1 (0.68) HSPB1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL349039 0.82 ERN1 (0.62) ALDH1A1KMT2AMEN1MAPTERN1
SCHEMBL2527480 0.82 ALDH1A1 (0.50) HSPB1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL14451771 0.79 TLR9 (0.61) HSPB1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL31556425 0.79 LMNA (0.50) ALDH1A1KMT2AERN1SRD5A2CYP2C9
SCHEMBL2536648 0.79 LMNA (0.50) ALDH1A1KMT2AERN1SRD5A2CYP2C9
Ethylene SCHEMBL7400535 0.79 ERN1 (0.59) ALDH1A1KMT2AMEN1MAPTERN1
SCHEMBL5175967 0.79 SOS1 (0.44) ALDH1A1KDM4EKMT2AMEN1MAPT
SCHEMBL13111360 0.79 ALDH1A1 (0.50) HSPB1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1982719 0.78 HSPB1 (0.62) HSPB1ALDH1A1KDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101298427-B Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH 2012-03-21 — — CN disclosed
CN-101298427-A Diaryl urea compound and use thereof GUANGZHOU INST BIOMED & HEALTH (CN) 2008-11-05 — — CN disclosed
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