SCHEMBL5199244

SCHEMBL5199244

O=[C]c1cccc(NC(=O)CI)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 2/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NR4A1 P22736 1/20 0.46
RAB9A P51151 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 1/20 0.45
PTPN11 Q06124 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
GAA P10253 2/20 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
SCHEMBL2702562 0.83 RAB9A (0.63) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL5199253 0.83 LMNA (0.49) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL8510583 0.82 GPR35 (0.38) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL1040883 0.81 ALDH1A1 (0.59) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL4085439 0.81 NPC1 (0.57) MAPTALDH1A1RAB9AMAPK1SMN1; SMN2
SCHEMBL3732413 0.79 RAB9A (0.46) KMT2AMEN1ALDH1A1POLBRAB9A
SCHEMBL8880595 0.78 KDM4E (0.60) LMNAKMT2AMEN1ALDH1A1RAB9A
SCHEMBL7133734 0.77 MAPT (0.50) LMNAKMT2AMEN1MAPTALDH1A1
SCHEMBL15706908 0.77 RAB9A (0.74) KMT2AMEN1MAPTALDH1A1POLB
SCHEMBL6688905 0.77 TRPV1 (0.51) KMT2AMEN1MAPTPOLBNR4A1

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-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
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