SCHEMBL5515080

SCHEMBL5515080

O=C([O-])c1nsc2ccccc12.[Na+]

nearest known ligand 0.48

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 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 9/20 0.48
MAPT P10636 8/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 2/20 0.44
LMNA P02545 7/20 0.42
RXFP1 Q9HBX9 2/20 0.42

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
SCHEMBL27676968 0.82 TP53 (0.51) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL10436279 0.81 TP53 (0.50) TP53MAPTSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL9036432 0.79 MAPT (0.51) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL591887 0.79 MAPT (0.49) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL1572476 0.79 MAPT (0.52) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL24897837 0.79 TP53 (0.52) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL19142574 0.79 TP53 (0.61) TP53MAPTSMN1; SMN2KDM4EALDH1A1
SCHEMBL7454304 0.76 TP53 (0.57) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL9038453 0.75 TP53 (0.72) TP53MAPTSMN1; SMN2POLBLMNA
SCHEMBL4109025 0.75 TP53 (0.50) TP53MAPTSMN1; SMN2KDM4EALDH1A1

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
US-7235352-B2 Photothermographic material FUJIFILM CORPORATION (JP) 2007-06-26 US disclosed
US-20070117054-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-05-24 US disclosed
US-20040018458-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2004-01-29 US disclosed
US-20040005522-A1 Photothermographic material FUJIFILM CORPORATION (JP) 2004-01-08 US disclosed