SCHEMBL11548807

SCHEMBL11548807

O=C(c1ccc(O)cc1)c1c(-c2ccccc2)[s+]([O-])c2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 2/20 0.46
CYP2C9 P11712 3/20 0.41
EYA3 Q99504 3/20 0.40
CYP2C19 P33261 1/20 0.40
HTT P42858 2/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 1/20 0.39
CES2 O00748 1/20 0.39
SRD5A2 P31213 1/20 0.39
LIG1 P18858 1/20 0.38
PTPN1 P18031 3/20 0.38
SLC22A12 Q96S37 1/20 0.38
DEGS1 O15121 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL11552089 0.96 LMNA (0.47) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11553065 0.94 MEN1 (0.50) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11553276 0.89 MAPK1 (0.47) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11546426 0.89 MAPT (0.42) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11555138 0.89 MEN1 (0.44) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11551463 0.86 CNR2 (0.47) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11547801 0.86 CNR2 (0.47) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11548819 0.85 ELANE (0.46) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11550462 0.84 MEN1 (0.42) LMNAMAPTMEN1KMT2ARAB9A
SCHEMBL11552923 0.84 LMNA (0.38) LMNAMAPTMEN1KMT2ARAB9A

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