SCHEMBL4593845

SCHEMBL4593845

CCCCOC(=O)Nc1cc(Cl)c(F)cc1Br

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 2/20 0.55
TSHR P16473 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RAB9A P51151 6/20 0.50
HPGD P15428 5/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2C9 P11712 1/20 0.50
KDM4E B2RXH2 2/20 0.45
CASP1 P29466 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
MCL1 Q07820 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
EGFR P00533 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
SCHEMBL15301603 0.76 TSHR (0.55) ALDH1A1LMNATSHRRAB9AHPGD
SCHEMBL29666364 0.76 RAB9A (0.70) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL7407182 0.76 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL4601158 0.76 AAK1 (0.44) RAB9ANPC1HTTEGFR
SCHEMBL9407130 0.75 L3MBTL1 (0.62) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL2538042 0.75 CYP1A2 (0.53) ALDH1A1NPSR1RAB9AHPGDSMN1; SMN2
SCHEMBL3164480 0.74 CA1 (0.44) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL8710366 0.74 RAB9A (0.52) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL16696407 0.74 RAB9A (0.47) L3MBTL1ALDH1A1LMNATSHRNPSR1
SCHEMBL16696408 0.74 RAB9A (0.74) L3MBTL1ALDH1A1LMNATSHRNPSR1

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
EP-1896396-A1 ANTHRANILIC ACID DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-03-12 EP disclosed
WO-2006134040-A1 ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-12-21 WO disclosed