SCHEMBL10877944

SCHEMBL10877944

CCCc1cc(C(=O)OC)cc([N+](=O)[O-])c1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ POLB P06746 2/20 0.46
▸ VCAM1 P19320 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ PPARG P37231 2/20 0.44
▸ PPARA Q07869 2/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ HTT P42858 2/20 0.43
▸ ESR1 P03372 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ PIM3 Q86V86 1/20 0.42
▸ NPC1 O15118 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41

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
SCHEMBL10609093 0.90 KMT2A (0.49) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL10610684 0.88 ALDH1A1 (0.51) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL10607192 0.87 ESR1 (0.53) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL22121312 0.85 KMT2A (0.47) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL10606736 0.85 GAA (0.51) KMT2AMEN1MAPTPOLBKDM4E
SCHEMBL645817 0.84 VCAM1 (0.55) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL10487640 0.84 KMT2A (0.46) KMT2AMEN1RXFP1MAPTVCAM1
SCHEMBL3554130 0.84 TPMT (0.51) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL22081923 0.80 MAPT (0.52) KMT2AMEN1RXFP1MAPTPOLB
SCHEMBL30159180 0.80 MAPT (0.52) KMT2AMEN1RXFP1MAPTPOLB

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-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 — — EP disclosed
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