SCHEMBL6797464

SCHEMBL6797464

O=C1CC(=O)CC(c2ccccc2Cl)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 1.00
RECQL P46063 1/20 1.00
MAPT P10636 2/20 0.53
GAA P10253 1/20 0.53
LDHA P00338 3/20 0.51
LDHB P07195 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.46
XBP1 P17861 1/20 0.46
HTT P42858 1/20 0.46
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A3 Q01959 2/20 0.42
ADRA1A P35348 2/20 0.41
ADRA1D P25100 1/20 0.41

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
SCHEMBL427764 0.92 TP53 (0.85) TP53RECQLMAPTGAALDHA
SCHEMBL7569132 0.85 TP53 (0.73) TP53RECQLMAPTGAALDHA
SCHEMBL24924075 0.81 TP53 (0.68) TP53RECQLGAALDHALDHB
SCHEMBL14580255 0.78 TP53 (0.65) TP53RECQLMAPTLDHALDHB
SCHEMBL3241051 0.78 TP53 (0.64) TP53RECQLMAPTGAALDHA
SCHEMBL5309411 0.78 TP53 (0.63) TP53RECQLMAPTGAALDHA
SCHEMBL5336238 0.77 TP53 (0.62) TP53RECQLMAPTGAAALDH1A1
SCHEMBL7685669 0.77 TP53 (0.62) TP53RECQLMAPTGAALDHA
SCHEMBL16880227 0.77 TP53 (0.62) TP53RECQLMAPTLDHALDHB
SCHEMBL11265020 0.76 TP53 (0.61) TP53RECQLMAPTGAALDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
US-6706732-B1 PROPHYLACTIC AND THERAPEUTIC EFFECT ON MYOCARDIAL INFARCTION AND ACCOMPANYING DYSFUNCTIONS, ARRHYTHMIA, UNSTABLE ANGINA, CARDIAC HYPERTROPHY, ETC.; SODIUM-PROTON EXCHANGE INHIBITION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2004-03-16 US disclosed
EP-1229019-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE CYCLIC ENAMINONE DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2002-08-07 EP disclosed
EP-1182194-A1 PERNASAL PREPARATIONS Takeda Chemical Industries, Ltd. (JP) 2002-02-27 EP disclosed
US-6350749-B1 SODIUM CHANNEL MODULATORS, ANTIARRHYTHMIA AND HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS, ANGINA PECTORIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-02-26 US disclosed
EP-1057812-A1 AMINOGUANIDINE HYDRAZONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND DRUGS THEREOF Takeda Chemical Industries, Ltd. (JP) 2000-12-06 EP disclosed
EP-0950418-A2 Composition for preventing or treating ischemic disease Takeda Chemical Industries, Ltd. (JP) 1999-10-20 EP disclosed
US-4639453-A Substituted 1-(4-amino-6,7-dialkoxyquinazolinyl)-4 cyclohexenyl derivatives of piperazine and homopiperazine, processes for their preparation and their use, formulations containing these compounds and intermediates BEIERSDORF AKTIENGESELLSCHAFT (DE) 1987-01-27 US disclosed
EP-0147715-A2 Substituted 1-(4-amino-6,7-dialkoxy-quinazolinyl)-4-cyclohexenyl-piperazine and homopiperazine derivatives, process for their preparation and their use, as well as compositions containing those compounds and intermediates Beiersdorf Aktiengesellschaft (DE) 1985-07-10 EP disclosed
US-3947449-A Tetrahydroacridones having chemotherapeutic action and process for preparing them HOECHST AKTIENGESELLSCHAFT (DT) 1976-03-30 US disclosed