SCHEMBL1082315

SCHEMBL1082315

CC(=O)Oc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.62
▸ PTGDR2 Q9Y5Y4 8/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HPGD P15428 2/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP2C9 P11712 1/20 0.57
▸ CYP2C19 P33261 1/20 0.57
▸ ALOX5 P09917 1/20 0.52
▸ MAPT P10636 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RARA P10276 2/20 0.48
▸ RARB P10826 2/20 0.48
▸ RARG P13631 2/20 0.48
▸ RAB9A P51151 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ POLB P06746 2/20 0.47

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
SCHEMBL2818132 0.87 PTGDR2 (0.62) KDM4EPTGDR2ALDH1A1HPGDALOX5
SCHEMBL27607932 0.80 RAB9A (0.50) KDM4EPTGDR2ALDH1A1ALOX5MAPT
SCHEMBL29011402 0.78 PTGDR2 (0.48) KDM4EPTGDR2ALDH1A1HPGDCYP1A2
SCHEMBL12608906 0.76 PTGDR2 (0.81) KDM4EPTGDR2ALDH1A1HPGDCYP1A2
SCHEMBL4485015 0.76 CDC7 (0.71) KDM4EPTGDR2ALDH1A1HPGDCYP1A2
SCHEMBL28056053 0.75 RAB9A (0.46) KDM4EPTGDR2ALDH1A1CYP1A2CYP2C9
SCHEMBL11097519 0.74 PTGDR2 (0.79) KDM4EPTGDR2ALDH1A1HPGDCYP1A2
SCHEMBL2821292 0.74 ABL1 (0.41) PTGDR2ALOX5MAPTSMN1; SMN2MEN1
SCHEMBL2760388 0.74 APEX1 (0.72) KDM4EPTGDR2ALDH1A1HPGDCYP1A2
SCHEMBL11456645 0.74 APEX1 (0.72) KDM4EPTGDR2ALDH1A1HPGDCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276729-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2011-01-26 — — EP claimed
WO-2009124371-A9 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2010-12-02 — — WO claimed
WO-2009124371-A2 NOVEL COMPOUNDS DERIVED FROM TAURINE, PROCESS OF THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THESE EMS S. A. (BR) 2009-10-15 — — WO claimed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 — — CN claimed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN claimed
CN-103772259-B There is positively charged aryl and the heteroaryl acetic acid class prodrug of rapid skin penetration speed 于崇曦 2016-08-31 — — CN disclosed
CN-103772259-A Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates YU CHONGXI 2014-05-07 — — CN disclosed
CN-103772258-A Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates YU CHONGXI 2014-05-07 — — CN disclosed
CN-102307857-A High penetration compositions and their use CHONGXI YU 2012-01-04 — — CN disclosed
CN-101506160-A Positively charged aryl and heteroaryl acetic acid prodrugs with fast skin penetration rates CHONGXI YU (US) 2009-08-12 — — CN disclosed
CN-100496607-C Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2009-06-10 — — CN disclosed
CN-1747731-A Imidazopyridines containing combinations and their use in treating gastrointestinal inflammatory disorders ALTANA PHARMA AG (DE) 2006-03-15 — — CN disclosed
CN-1625411-A Combination of a NSAID and a PDE-4 inhibitor ALTANA PHARMA AG (DE) 2005-06-08 — — CN disclosed
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