SCHEMBL28623296

SCHEMBL28623296

O=S(=O)([O-])CCCSc1nc2ccccc2[nH]1.[Na+]

nearest known ligand 0.65

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 16)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.65
NPC1 O15118 4/20 0.63
RAB9A P51151 3/20 0.63
LMNA P02545 5/20 0.61
AR P10275 4/20 0.60
ALDH1A1 P00352 1/20 0.59
EPHX2 P34913 1/20 0.58
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 3/20 0.55
POLB P06746 1/20 0.55
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 3/20 0.53
HTT P42858 1/20 0.53
TP53 P04637 1/20 0.52
GAA P10253 1/20 0.51
PDE10A Q9Y233 1/20 0.51

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
SCHEMBL15501170 0.87 LMNA (0.67) BCHENPC1RAB9ALMNAAR
SCHEMBL14304932 0.83 BCHE (0.86) BCHENPC1RAB9ALMNAAR
SCHEMBL14303261 0.82 BCHE (0.83) BCHENPC1RAB9ALMNAAR
SCHEMBL14303260 0.82 BCHE (0.83) BCHENPC1RAB9ALMNAAR
SCHEMBL14304381 0.82 BCHE (0.83) BCHENPC1RAB9ALMNAAR
SCHEMBL14304387 0.82 BCHE (0.83) BCHENPC1RAB9ALMNAAR
SCHEMBL6141660 0.82 BCHE (0.83) BCHENPC1RAB9ALMNAAR
SCHEMBL28271217 0.82 CYP1A2 (0.49) BCHENPC1RAB9ALMNAAR
SCHEMBL28342962 0.82 LMNA (0.44) BCHENPC1RAB9ALMNAAR
Bromide SCHEMBL5084026 0.81 BCHE (0.80) BCHENPC1RAB9ALMNAAR

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
CN-113373482-B Pulse copper electroplating additive, electroplating solution and application of electroplating solution 深圳市贝加电子材料有限公司 2023-06-20 CN claimed
CN-113373482-A Pulse electro-plating additive, electroplating solution and application of electroplating solution 深圳市贝加电子材料有限公司 2021-09-10 CN claimed
CN-113373482-B Pulse copper electroplating additive, electroplating solution and application of electroplating solution 深圳市贝加电子材料有限公司 2023-06-20 CN disclosed
CN-113373482-A Pulse electro-plating additive, electroplating solution and application of electroplating solution 深圳市贝加电子材料有限公司 2021-09-10 CN disclosed