SCHEMBL29378273

SCHEMBL29378273

O=S(=O)(O)c1ccc(N=Nc2ccc(O)c3ccccc23)c2ccccc12.[Na+]

nearest known ligand 0.68

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
▸ THRB known ✓ P10828 2/20 0.55
▸ CYP1A2 P05177 1/20 0.68
▸ CTRB1 P17538 1/20 0.67
▸ MEN1 O00255 2/20 0.59
▸ KMT2A Q03164 2/20 0.59
▸ NSD2 O96028 2/20 0.59
▸ POLB P06746 1/20 0.59
▸ IDE P14735 1/20 0.59
▸ DUSP3 P51452 1/20 0.59
▸ CCR6 P51684 1/20 0.59
▸ BLM P54132 1/20 0.59
▸ LDHA P00338 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ GLO1 Q04760 1/20 0.52
▸ MPL P40238 5/20 0.51
▸ TNNI3 P19429 1/20 0.51
▸ TNNT2 P45379 1/20 0.51
▸ TNNC1 P63316 1/20 0.51
▸ HKDC1 Q2TB90 1/20 0.51
▸ MMP14 P50281 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
SCHEMBL28551711 0.98 CYP1A2 (0.70) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL31661136 0.87 CYP1A2 (0.60) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL29564390 0.86 LDHA (0.70) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL249254 0.86 LDHA (0.70) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL27933886 0.86 CYP1A2 (0.58) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL15115349 0.85 CYP1A2 (0.70) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL25926116 0.85 CYP1A2 (0.70) CYP1A2CTRB1MEN1KMT2ANSD2
Ammonia Solution, Strong SCHEMBL16413079 0.84 LDHA (0.68) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL2931657 0.84 LDHA (0.68) CYP1A2CTRB1MEN1KMT2ANSD2
SCHEMBL565346 0.84 LDHA (0.68) CYP1A2CTRB1LDHAMPLTNNI3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109651885-B Ozone-resistant and sun-resistant gray dye ink and preparation method thereof 深圳市墨库图文技术有限公司 2022-02-11 — — CN claimed
CN-122013472-A Method for decoloring supercritical mixed fluid 信泰(福建)科技有限公司 2026-05-12 — — CN disclosed
WO-2025065344-A1 ANTENNA, USER EQUIPMENT, WINDOW AND VEHICLE GOERTEK INC. (CN) 2025-04-03 — — WO disclosed
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