SCHEMBL8996998

SCHEMBL8996998

CO/N=C(\C(=O)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(SC3COCOC3)CS[C@@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ NR1I2 O75469 6/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ PTGS1 P23219 2/20 0.43
▸ ABCB11 O95342 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ PPARG P37231 2/20 0.42
▸ SLC22A6 Q4U2R8 2/20 0.42
▸ SLC22A8 Q8TCC7 2/20 0.42
▸ SLC22A11 Q9NSA0 2/20 0.42
▸ ALB P02768 1/20 0.42
▸ PGR P06401 3/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ TDP1 Q9NUW8 4/20 0.40
▸ APEX1 P27695 2/20 0.40
▸ ABCC4 O15439 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ PKM P14618 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
SCHEMBL8996992 1.00 KMT2A (0.45) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL9344855 0.95 KMT2A (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8997143 0.95 KMT2A (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8997021 0.94 NR1I2 (0.39) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8997028 0.94 NR1I2 (0.39) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8996936 0.93 KMT2A (0.45) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8997037 0.91 NR1I2 (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8996898 0.91 NR1I2 (0.44) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8996884 0.89 NR1I2 (0.43) KMT2ANR1I2HTR2CPTGS1ABCB11
SCHEMBL8996906 0.89 NR1I2 (0.43) KMT2ANR1I2HTR2CPTGS1ABCB11

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
EP-0432042-B1 Cephalosporin derivatives and their production and uses MEIJI SEIKA KAISHA (JP) 1996-08-28 — — EP disclosed
US-5332731-A Antibiotics as bactericides MEIJI SEIKA KAISHA, LTD. (JP) 1994-07-26 — — US disclosed
EP-0432042-A2 Cephalosporin derivatives and their production and uses MEIJI SEIKA KAISHA LTD. (JP) 1991-06-12 — — EP disclosed
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