SCHEMBL14988443

SCHEMBL14988443

Cc1ccc(-c2ccc(N=Nc3cc(S(=O)(=O)[O-])c4ccccc4c3N)cn2)cc1.[Na+]

nearest known ligand 0.00

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.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14988585 0.92 — —
SCHEMBL14988365 0.92 — —
SCHEMBL14988603 0.90 — —
SCHEMBL14988597 0.90 — —
SCHEMBL14988716 0.89 — —
SCHEMBL15120144 0.89 MEN1 (0.67) —
SCHEMBL29697089 0.89 MEN1 (0.67) —
SCHEMBL18044183 0.89 MEN1 (0.67) —
SCHEMBL14988658 0.89 — —
SCHEMBL14988441 0.88 MEN1 (0.65) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206129-B2 Agent for treatment of eye diseases DAITO CHEMIX CORPORATION (JP) 2015-12-08 — — US claimed
EP-3042658-B1 MEDICINAL COMPOSITION IMPROVING LEPTIN RESISTANCE UNIV KYOTO (JP) 2019-01-16 — — EP disclosed
EP-2959903-B1 MEDICINE FOR TREATING EYE DISEASE UNIV KYOTO (JP) 2018-10-03 — — EP disclosed
US-9931351-B2 Method for improving leptin resistance KYOTO UNIVERSITY (JP) 2018-04-03 — — US disclosed
US-9782420-B2 Method for treating eye diseases KYOTO UNIVERSITY (JP) 2017-10-10 — — US disclosed
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 — — US disclosed
US-20160303144-A1 Medicinal Composition Improving Leptin Resistance KYOTO UNIVERSITY (JP) 2016-10-20 — — US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 — — EP disclosed
EP-3042658-A1 MEDICINAL COMPOSITION IMPROVING LEPTIN RESISTANCE Kyoto University (JP) 2016-07-13 — — EP disclosed
US-20160000810-A1 Method For Treating Eye Diseases KYOTO UNIVERSITY (JP) 2016-01-07 — — US disclosed
EP-2959903-A1 MEDICINE FOR TREATING EYE DISEASE Kyoto University (JP) 2015-12-30 — — EP disclosed
US-9206129-B2 Agent for treatment of eye diseases DAITO CHEMIX CORPORATION (JP) 2015-12-08 — — US disclosed
EP-2623494-B1 AGENT FOR TREATMENT OF EYE DISEASES DAITO CHEMIX CORP (JP) 2015-09-02 — — EP disclosed
US-20140148416-A1 Agent for Treatment of Eye Diseases KYOTO UNIVERSITY (JP) 2014-05-29 — — US disclosed
EP-2623494-A1 AGENT FOR TREATMENT OF EYE DISEASES Daito Chemix Corporation (JP) 2013-08-07 — — EP disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 — — US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 — — EP disclosed
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