SCHEMBL5197892

SCHEMBL5197892

O=C(CBr)Nc1cccc(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.57
RAB9A P51151 8/20 0.57
SMN1; SMN2 Q16637 7/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HTT P42858 1/20 0.57
HIF1A Q16665 1/20 0.56
EPAS1 Q99814 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
MITF O75030 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MAPT P10636 1/20 0.55
HSD17B10 Q99714 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55
PAX8 Q06710 1/20 0.55
KLF5 Q13887 1/20 0.55
HPSE Q9Y251 1/20 0.54

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
SCHEMBL5145754 0.87 KMT2A (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28069955 0.87 SMN1; SMN2 (0.62) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL21765844 0.85 POLB (0.56) RAB9ASMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL8687952 0.85 KMT2A (0.71) KMT2AMEN1ALDH1A1HIF1AEPAS1
SCHEMBL9912441 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL28172169 0.84 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL10964661 0.83 L3MBTL1 (0.77) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL11508333 0.83 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL2113107 0.83 ALDH1A1 (0.60) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL5199108 0.83 HIF1A (0.59) NPC1RAB9ASMN1; SMN2KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1469845-B1 DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES KALIL FIHLO JORGE ELIAS (BR) 2007-08-15 EP disclosed
EP-1469845-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES Kalil-Fihlo, Jorge Elias (BR) 2004-10-27 EP disclosed
EP-0950669-B1 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM & HAAS (US) 2004-09-08 EP disclosed
WO-2003063858-A2 COMPOUNDS, PARTICULARLY OF UREA DERIVATIVES OR ESTER DERIVATIVES OF HALOACETAMIDOBENZOIC ACID AND USE THEREOF FOR THE TREATMENT OF PARASITIC DISEASES KALIL-FIHLO, JORGE, ELIAS (BR) 2003-08-07 WO disclosed
US-6306991-B1 TWO PART COATING COMPOSITION WITH TWO CONTAINERS, OXIDATIVE POLYMERS WITH CROSSLINKABLE FUNCTIONAL GROUPS ROHM AND HAAS COMPANY 2001-10-23 US disclosed
US-6149977-A CONTACTING THE OXIDATIVE POLYMER WITH A CATALYTIC AMOUNT OF AN OXIDIZING ENZYME, SUCH AS HORSERADISH PEROXIDASE. ROHM AND HAAS COMPANY (US) 2000-11-21 US disclosed
EP-0950669-A2 Method of catalytic crosslinking of polymers and two-pack composition used therein ROHM AND HAAS COMPANY (US) 1999-10-20 EP disclosed