SCHEMBL10683072

SCHEMBL10683072

Cc1cc(CSC2=C(C(=O)O)N3C(=O)[C@H]([C@@H](C)O)[C@H]3C2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
ESR1 P03372 2/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A4 P31645 1/20 0.46
KCNH2 Q12809 1/20 0.46
SLC29A1 Q99808 1/20 0.46
ELANE P08246 1/20 0.33
PTGS1 P23219 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PDE4A P27815 1/20 0.30

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
SCHEMBL10683068 1.00 KDM4E (0.53) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10684002 0.86 LMNA (0.57) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10683993 0.86 LMNA (0.57) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11212338 0.84 KDM4E (0.60) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL11108009 0.82 LMNA (0.57) KDM4ELMNAESR1CHRM1SLC6A4
Water SCHEMBL10675653 0.81 KDM4E (0.56) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL8865302 0.80 KDM4E (0.55) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10676765 0.80 KDM4E (0.55) KDM4ELMNAESR1CHRM1SLC6A4
SCHEMBL10683098 0.80 ESR1 (0.43) KDM4ELMNAESR1ELANEPTGS1
SCHEMBL10683095 0.80 ESR1 (0.43) KDM4ELMNAESR1ELANEPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4746736-A THIENAMYCINS, BACTERICIDES BRISTOL-MYERS COMPANY (US) 1988-05-24 US disclosed
US-4732977-A BACTERICIDES BRISTOL MYERS COMPANY (US) 1988-03-22 US disclosed
US-4644061-A Carbapenem antibiotics BRISTOL-MYERS COMPANY (US) 1987-02-17 US disclosed