SCHEMBL10832800

SCHEMBL10832800

CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3nnnn3N)CS[C@@H]12)c1csc(N)n1.[Na+]

nearest known ligand 0.77

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG known ✓ P37231 2/20 0.65
▸ NR1I2 O75469 5/20 0.77
▸ PGR P06401 2/20 0.77
▸ TDP1 Q9NUW8 6/20 0.75
▸ MAPT P10636 5/20 0.75
▸ APEX1 P27695 3/20 0.75
▸ HSD17B10 Q99714 3/20 0.75
▸ ALDH1A1 P00352 2/20 0.75
▸ POLB P06746 2/20 0.75
▸ RECQL P46063 2/20 0.75
▸ CYP2D6 P10635 1/20 0.75
▸ KDM4E B2RXH2 1/20 0.75
▸ BLM P54132 1/20 0.75
▸ ABCC4 O15439 2/20 0.72
▸ CYP1A2 P05177 1/20 0.72
▸ PKM P14618 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ NPSR1 Q6W5P4 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ ESR1 P03372 1/20 0.67

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
SCHEMBL10833034 0.94 NR1I2 (0.67) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL9074658 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL10776181 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL15660878 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL9651055 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL9074653 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
Cefmenoxime SCHEMBL10776170 0.93 NR1I2 (0.88) NR1I2PGRTDP1MAPTAPEX1
SCHEMBL10832404 0.93 NR1I2 (0.87) NR1I2PGRTDP1MAPTAPEX1
SCHEMBL11145121 0.93 NR1I2 (0.87) NR1I2PGRTDP1MAPTAPEX1
SCHEMBL11145116 0.93 NR1I2 (0.87) NR1I2PGRTDP1MAPTAPEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4576938-A Cephalosporin compound and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1986-03-18 — — US disclosed
EP-0081971-A2 Novel cephalosporin compound and process for preparing the same Tanabe Seiyaku Co., Ltd. (JP) 1983-06-22 — — EP disclosed
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