SCHEMBL11262518

SCHEMBL11262518

Cc1oc2ccc(Cl)cc2c(=S)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.56
KMT2A Q03164 6/20 0.52
SLC26A4 O43511 5/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
MEN1 O00255 5/20 0.49
ALDH1A1 P00352 3/20 0.49
TTR P02766 2/20 0.48
KDM4E B2RXH2 4/20 0.47
MAPK1 P28482 1/20 0.47
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
GPR35 Q9HC97 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL11362868 0.78 LMNA (0.58) MCL1KMT2ASLC26A4POLBLMNA
SCHEMBL11262520 0.78 TTR (0.52) MCL1KMT2ASLC26A4POLBLMNA
SCHEMBL10897753 0.73 MCL1 (0.69) MCL1KMT2ASLC26A4POLBMEN1
SCHEMBL4615856 0.72 MCL1 (1.00) MCL1KMT2AMEN1ALDH1A1TTR
SCHEMBL5512634 0.71 ANO1 (0.64) MCL1KMT2AHTTMEN1ALDH1A1
SCHEMBL24470616 0.70 HTT (0.64) KMT2ASLC26A4POLBLMNAHTT
SCHEMBL29630216 0.70 HTT (0.64) KMT2ASLC26A4POLBLMNAHTT
SCHEMBL14409919 0.70 MCL1 (0.59) MCL1KMT2ALMNAHTTALDH1A1
SCHEMBL15750031 0.70 AHR (0.52) MCL1KMT2ALMNAHTTALDH1A1
SCHEMBL11262567 0.70 ALDH1A1 (0.48) MCL1KMT2ALMNAHTTMEN1

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
US-4320133-A Penicillins and their antibacterial use SANDOZ LTD. (CH) 1982-03-16 US disclosed