SCHEMBL17832802

SCHEMBL17832802

CCSc1cc2cc(Br)ccc2nc1C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.42
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
RXFP1 Q9HBX9 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NR4A2 P43354 1/20 0.36

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
SCHEMBL17824512 0.89 ALDH1A1 (0.48) RXFP1ALDH1A1TSHRSMN1; SMN2HTT
SCHEMBL17824490 0.85 MAPT (0.40) L3MBTL1RXFP1ALDH1A1SMN1; SMN2HTT
SCHEMBL21525836 0.79 ALDH1A1 (0.45) L3MBTL1RXFP1ALDH1A1SMN1; SMN2HTT
SCHEMBL20681112 0.78 L3MBTL1 (0.48) L3MBTL1MMP2MMP9MMP8MMP13
SCHEMBL17824509 0.75 NPSR1 (0.37) L3MBTL1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL17824499 0.74 TARBP2 (0.47) RXFP1ALDH1A1TSHRMAPTGAA
SCHEMBL17422583 0.74 MAPT (0.41) L3MBTL1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL30614499 0.74 MAPT (0.41) L3MBTL1ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL17494851 0.74 NR4A2 (0.46) L3MBTL1PRMT5WDR77ALDH1A1MAPT
SCHEMBL24576637 0.72 TSHR (0.42) L3MBTL1RXFP1ALDH1A1TSHRSMN1; SMN2

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-3230284-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-15 EP disclosed
WO-2016091731-A1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-06-16 WO disclosed