SCHEMBL30544458

SCHEMBL30544458

CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1ccccc1.[Na+]

nearest known ligand 0.58

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
▸ MAPT P10636 9/20 0.58
▸ NPC1 O15118 8/20 0.58
▸ RAB9A P51151 7/20 0.58
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ LMNA P02545 3/20 0.58
▸ MAPK1 P28482 3/20 0.58
▸ TDP1 Q9NUW8 2/20 0.58
▸ MEN1 O00255 12/20 0.57
▸ KMT2A Q03164 12/20 0.57
▸ CYP1A2 P05177 2/20 0.57
▸ GAA P10253 1/20 0.57
▸ POLB P06746 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.48
▸ CASP3 P42574 2/20 0.46
▸ SENP7 Q9BQF6 2/20 0.46
▸ SENP6 Q9GZR1 2/20 0.46
▸ CYP2D6 P10635 1/20 0.43

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
SCHEMBL2866190 1.00 MAPT (0.58) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1615063 0.94 MEN1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29960122 0.94 MEN1 (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL30893167 0.89 MEN1 (0.47) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL342266 0.84 MAPT (0.75) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL1615065 0.83 KMT2A (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL3953142 0.82 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL226987 0.82 MEN1 (0.51) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL29756485 0.82 MEN1 (0.42) MAPTNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL18038402 0.82 KMT2A (0.53) MAPTNPC1RAB9AALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114351194-B Plating solution and process for electroplating copper on printed circuit through hole 电子科技大学 2023-06-20 — — CN disclosed
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