SCHEMBL8772552

SCHEMBL8772552

COc1ccc(C[S+]([O-])C2CC(=O)N2CCCCCCc2ccc(Cl)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
KCNA5 P22460 4/20 0.40
KCNH2 Q12809 3/20 0.40
C5AR1 P21730 1/20 0.39
TRPV6 Q9H1D0 1/20 0.39
REN P00797 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 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
SCHEMBL8772498 0.90 HTT (0.39) KMT2AKCNA5KCNH2GAAPOLB
SCHEMBL8443150 0.84 KMT2A (0.45) KMT2APOLBALDH1A1
SCHEMBL8549722 0.81 HRH3 (0.41) KCNH2
SCHEMBL8439618 0.80 GSK3A (0.43) KMT2A
SCHEMBL8772475 0.79 FAAH (0.42) KMT2A
SCHEMBL8772509 0.77 TSHR (0.44) KMT2APOLBALDH1A1
SCHEMBL8772398 0.77 GSK3A (0.39) KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL8772402 0.77 HTR2A (0.43) KMT2AGAAALDH1A1
SCHEMBL8772447 0.76 LMNA (0.45) KMT2APOLBALDH1A1LMNA
SCHEMBL8772474 0.75 POLB (0.38) KMT2APOLBALDH1A1LMNA

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-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP claimed