SCHEMBL11548419

SCHEMBL11548419

CCOc1ccc(C(=O)c2c(-c3ccccc3)[s+]([O-])c3cc(OCC)ccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
LMNA P02545 1/20 0.50
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
RECQL P46063 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
CHRNA7 P36544 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL11551934 0.97 MAPK1 (0.48) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11553668 0.95 MAPK1 (0.45) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11545551 0.92 MAPK1 (0.45) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11547399 0.90 MAOB (0.44) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11550006 0.88 KMT2A (0.45) MAPK1L3MBTL1LMNAALDH1A1KDM4E
SCHEMBL11552086 0.88 LMNA (0.44) MAPK1L3MBTL1LMNAKMT2AGAA
SCHEMBL11550248 0.87 LMNA (0.44) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11553774 0.86 LMNA (0.46) MAPK1L3MBTL1LMNAHCRTR1HCRTR2
SCHEMBL11554068 0.86 PTPN11 (0.47) MAPK1L3MBTL1LMNATSHR
SCHEMBL11547207 0.85 SLC22A12 (0.47) MAPK1HPGDALDH1A1KDM4ERECQL

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-4133814-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1979-01-09 US disclosed