SCHEMBL9482363

SCHEMBL9482363

C=CC1=C(C(=O)[O-])N2C(=O)C(NC(=O)/C(=N\OCC(=O)OC(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@H]2SC1.[Na+]

nearest known ligand 0.69

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 1/20 0.53
▸ TDP1 Q9NUW8 10/20 0.69
▸ APEX1 P27695 4/20 0.69
▸ APAF1 O14727 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ L3MBTL1 Q9Y468 2/20 0.69
▸ TSHR P16473 1/20 0.69
▸ PLCG1 P19174 1/20 0.69
▸ ABCC2 Q92887 1/20 0.69
▸ SIRT5 Q9NXA8 1/20 0.69
▸ PSMD14 O00487 1/20 0.68
▸ MMP2 P08253 1/20 0.68
▸ MAPT P10636 5/20 0.60
▸ ABCC4 O15439 2/20 0.60
▸ CNR1 P21554 1/20 0.60
▸ CTDSP1 Q9GZU7 1/20 0.60
▸ HSD17B10 Q99714 4/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ RECQL P46063 2/20 0.54

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
SCHEMBL9482372 1.00 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481965 0.94 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481972 0.94 TDP1 (0.71) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11285168 0.90 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL11282014 0.90 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481314 0.90 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9481309 0.90 TDP1 (0.69) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345547 0.89 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL10345548 0.89 TDP1 (0.56) TDP1APEX1APAF1LMNAL3MBTL1
SCHEMBL9482609 0.88 TDP1 (0.63) TDP1APEX1APAF1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252731-A Antibiotics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-10-12 — — US disclosed
US-5110921-A Bactericides FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-05-05 — — US disclosed
US-4960889-A CEPHALOSPORIN INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-02 — — US disclosed
US-4731443-A 7-acylamino-3-vinylcephalosporanic acid derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-15 — — US disclosed
US-4487927-A BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4423213-A ANTIBIOTIC FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-12-27 — — US disclosed
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