SCHEMBL21361785

SCHEMBL21361785

C=C(CC)c1c(C(=O)O)sc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.51
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
PRNP P04156 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
EDNRA P25101 1/20 0.44
ABCC1 P33527 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
CD274 Q9NZQ7 1/20 0.43
CNR2 P34972 4/20 0.43
BCL2 P10415 1/20 0.43
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 2/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
CNR1 P21554 2/20 0.41
HSD11B1 P28845 1/20 0.41
LIMK1 P53667 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
SCHEMBL29664668 0.80 MCL1 (0.65) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL941112 0.80 MCL1 (0.65) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL25904738 0.75 LMNA (0.82) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL20937648 0.74 MCL1 (0.58) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL20853270 0.74 CD274 (0.41) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL29939764 0.72 RXFP1 (0.71) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL584871 0.72 RXFP1 (0.71) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL9495716 0.72 ALDH1A1 (0.64) LMNAMAPK1PRNPRXFP1ALDH1A1
Dibenzothiophene SCHEMBL28857076 0.71 GPR3 (0.58) MCL1LMNAMAPK1PRNPRXFP1
SCHEMBL15697532 0.71 PTPN2 (0.56) MCL1LMNAMAPK1PRNPRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3268361-B1 PESTICIDALLY ACTIVE TETRACYCLIC DERIVATIVES WITH SULFUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-18 EP disclosed