SCHEMBL9375491

SCHEMBL9375491

CN(C)CCn1nnnc1[S-].[Na+]

nearest known ligand 0.36

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 7)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 12/20 0.36
DCUN1D1 Q96GG9 12/20 0.36
LMNA P02545 2/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.31
HTR1A P08908 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
SCHEMBL4609640 0.74 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2ACYP1A2
SCHEMBL912644 0.74 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2AALDH1A1
SCHEMBL10996032 0.74 CYP1A2 (0.57) LMNAKMT2AALDH1A1CYP1A2
Ammonia Solution, Strong SCHEMBL10363130 0.73 UBE2M (0.36) UBE2MDCUN1D1LMNAKMT2AALDH1A1
SCHEMBL18402647 0.73 DCUN1D1 (0.39) UBE2MDCUN1D1LMNAKMT2AALDH1A1
Hydrochloric Acid SCHEMBL9662206 0.73 DCUN1D1 (0.39) UBE2MDCUN1D1LMNAKMT2AALDH1A1
SCHEMBL3742869 0.72 LMNA (0.71) UBE2MDCUN1D1LMNAKMT2AALDH1A1
SCHEMBL13314661 0.72 UBE2M (0.38) UBE2MDCUN1D1LMNAKMT2A
SCHEMBL9601574 0.72 DCUN1D1 (0.35) UBE2MDCUN1D1LMNAKMT2AALDH1A1
SCHEMBL10197492 0.72 UBE2M (0.40) UBE2MDCUN1D1LMNAKMT2AALDH1A1

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-0251299-B1 Cephalosporin compounds, processes for their preparation and antibacterial agents KAKEN PHARMA CO LTD (JP) 1994-08-31 EP disclosed
US-4883879-A CHEMICAL INTERMEDIATES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-11-28 US disclosed
US-4822786-A Cephalosporin compounds, and antibacterial agents KAKEN PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
EP-0251299-A2 Cephalosporin compounds, processes for their preparation and antibacterial agents Kaken Pharmaceutical Co., Ltd. (JP) 1988-01-07 EP disclosed