SCHEMBL30893167

SCHEMBL30893167

CC1=NN(c2cc(S(=O)(=O)[O-])ccc2Cl)C(=O)C1N=Nc1cccc(S(=O)(=O)Nc2ccccc2)c1.[Na+]

nearest known ligand 0.47

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
▸ MEN1 O00255 11/20 0.47
▸ KMT2A Q03164 11/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ MAPT P10636 9/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ POLB P06746 3/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ATM Q13315 1/20 0.39
▸ PGR P06401 1/20 0.39
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL9111588 0.91 MEN1 (0.49) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL9111578 0.91 MEN1 (0.49) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL9111595 0.91 MEN1 (0.49) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL30544458 0.89 MAPT (0.58) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL2866190 0.89 MAPT (0.58) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL1615063 0.83 MEN1 (0.53) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL29960122 0.83 MEN1 (0.53) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL29637818 0.78 MEN1 (0.42) MEN1KMT2ANPC1MAPTCYP1A2
SCHEMBL29353980 0.77 CA12 (0.60) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL29353328 0.77 MEN1 (0.56) MEN1KMT2ANPC1MAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024187194-A2 PHOTOCLICK CHEMISTRY OF SILK FOR TEMPORARY UV TATTOOS TRUSTEES OF TUFTS COLLEGE (US) 2024-09-12 — — WO disclosed
WO-2024097977-A1 SILK NANOPARTICLE SYNTHESIS: TUNING SIZE, DISPERSITY, AND SURFACE CHEMISTRY FOR DRUG DELIVERY TRUSTEES OF TUFTS COLLEGE (US) 2024-05-10 — — WO disclosed
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