SCHEMBL9643012

SCHEMBL9643012

C[n+]1ccc(SCC2=C(C(=O)O)N3C(=O)C(NC(=O)/C(=C/C(=O)OC(C)(C)C)c4csc(NC(c5ccccc5)(c5ccccc5)c5ccccc5)n4)[C@H]3SC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ CTDSP1 Q9GZU7 2/20 0.41
▸ NR1I2 O75469 7/20 0.41
▸ PGR P06401 4/20 0.41
▸ PPARG P37231 4/20 0.40
▸ SLC22A6 Q4U2R8 3/20 0.40
▸ SLC22A8 Q8TCC7 3/20 0.40
▸ SLC22A11 Q9NSA0 3/20 0.40
▸ DAO P14920 1/20 0.40
▸ SNCA P37840 1/20 0.40
▸ CYP2J2 P51589 1/20 0.40
▸ ABCC4 O15439 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALB P02768 1/20 0.38
▸ ESR1 P03372 1/20 0.37
▸ L3MBTL1 Q9Y468 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
SCHEMBL9643024 1.00 KMT2A (0.41) KMT2ACTDSP1NR1I2PGRPPARG
SCHEMBL10639008 0.88 NR1I2 (0.43) KMT2ACTDSP1NR1I2PGRPPARG
SCHEMBL10638997 0.88 NR1I2 (0.43) KMT2ACTDSP1NR1I2PGRPPARG
Bromide SCHEMBL10835276 0.86 NR1I2 (0.49) KMT2ACTDSP1NR1I2PGRPPARG
Iodide SCHEMBL10959262 0.86 KMT2A (0.49) KMT2ACTDSP1NR1I2PGRPPARG
Bromide SCHEMBL10955317 0.86 KMT2A (0.47) KMT2ACTDSP1NR1I2PGRPPARG
SCHEMBL9643042 0.82 — —
SCHEMBL9643776 0.81 CTDSP1 (0.47) KMT2ACTDSP1SLC22A6SLC22A8SLC22A11
SCHEMBL9644311 0.81 FAP (0.48) KMT2ACTDSP1SLC22A6SLC22A8SLC22A11
SCHEMBL10528959 0.80 NR1I2 (0.56) KMT2ANR1I2PGRPPARGSLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0168327-A2 Cephalosporin compounds MEIJI SEIKA KAISHA LTD. (JP) 1986-01-15 — — EP claimed
EP-0168327-B1 CEPHALOSPORIN COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1992-09-23 — — EP disclosed
US-4791197-A ANTIBIOTICS SAKAGAMI KENJI (JP) 1988-12-13 — — US disclosed
EP-0168327-A2 Cephalosporin compounds MEIJI SEIKA KAISHA LTD. (JP) 1986-01-15 — — EP disclosed
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