SCHEMBL10487640

SCHEMBL10487640

CCCc1cc(C(=O)OC)cc([N+](=O)[O-])c1Br

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
▸ VCAM1 P19320 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ESR1 P03372 1/20 0.43
▸ PPARG P37231 2/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 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
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDGFRB P09619 1/20 0.40
▸ FGFR1 P11362 1/20 0.40
▸ PDGFRA P16234 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
SCHEMBL10487697 0.90 KMT2A (0.49) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL10487679 0.88 ALDH1A1 (0.51) KMT2AMEN1MAPTKDM4EESR1
SCHEMBL10487798 0.87 ESR1 (0.53) KMT2AMEN1MAPTKDM4EESR1
SCHEMBL10608618 0.85 GAA (0.51) MAPTALDH1A1HCAR3
SCHEMBL3554130 0.84 TPMT (0.51) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL10877944 0.84 KMT2A (0.46) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL29407123 0.80 VCAM1 (0.51) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL28690833 0.80 VCAM1 (0.51) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL8841189 0.79 VCAM1 (0.50) KMT2AMEN1RXFP1VCAM1MAPT
SCHEMBL4199372 0.79 VCAM1 (0.50) KMT2AMEN1RXFP1VCAM1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 — — EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 — — US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 — — EP disclosed
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