SCHEMBL3669055

SCHEMBL3669055

CCC(Oc1ccc2ncc(Br)cc2c1)C(=O)O.COC(Oc1ccc2ncc(Br)cc2c1)C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
SCN9A Q15858 1/20 0.35
HPGDS O60760 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 1/20 0.35
PPARA Q07869 6/20 0.34
PPARG P37231 5/20 0.34
ALDH1A1 P00352 3/20 0.34
F2 P00734 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3669425 0.91 SMN1; SMN2 (0.42) SMN1; SMN2SCN9AHPGDSMAPTPOLB
SCHEMBL3616287 0.90 HPGDS (0.41) SMN1; SMN2SCN9AHPGDSALDH1A1F2
SCHEMBL29814914 0.87 ALDH1A1 (0.39) SMN1; SMN2SCN9AHPGDSMAPTPOLB
SCHEMBL154893 0.87 ALDH1A1 (0.39) SMN1; SMN2SCN9AHPGDSMAPTPOLB
SCHEMBL3607774 0.85 SMN1; SMN2 (0.51) SMN1; SMN2MAPTPOLBPPARAPPARG
SCHEMBL3602400 0.84 HPGDS (0.38) SMN1; SMN2SCN9AHPGDSMAPTALDH1A1
SCHEMBL2222087 0.83 ALDH1A1 (0.40) SMN1; SMN2SCN9AHPGDSALDH1A1F2
SCHEMBL3616459 0.82 ALDH1A1 (0.37) SMN1; SMN2SCN9AHPGDSPOLBALDH1A1
SCHEMBL2221463 0.81 ALDH1A1 (0.39) SMN1; SMN2SCN9AHPGDSMAPTPOLB
SCHEMBL3613074 0.80 ALDH1A1 (0.46) HPGDSPPARAPPARGALDH1A1F2

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-2139324-A1 QUINOLINE DERIVATIVES AS FUNGICIDES Syngeta Participations AG (CH) 2010-01-06 EP disclosed
WO-2008110355-A1 QUINOLINE DERIVATIVES AS FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-09-18 WO disclosed