SCHEMBL9196887

SCHEMBL9196887

CSc1cc(Br)cc(-c2cccs2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
KDM4E B2RXH2 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
CFTR P13569 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL9193569 0.82 KCNH2 (0.48) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL1334676 0.82 KCNH2 (0.48) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL402734 0.74 LTA4H (0.52) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL30957038 0.74 KCNH2 (0.42) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL29240323 0.74 KCNH2 (0.42) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL9292674 0.73 ALDH1A1 (0.43) RAB9ASMN1; SMN2TDP1NPC1ALDH1A1
SCHEMBL4338418 0.71 KCNH2 (0.58) KCNH2KDM4EMAPTTDP1ALDH1A1
SCHEMBL1590727 0.71 KCNH2 (0.50) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL3143466 0.70 DPP4 (0.47) KCNH2KDM4EMAPTRAB9ASMN1; SMN2
SCHEMBL9456798 0.70 ERN1 (0.47) KCNH2KDM4EMAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0656900-A4 CATIONIC-2-HETEROARYLPHENYL-CARBAPENEM ANTIBACTERIAL AGENTS. MERCK & CO INC (US) 1995-09-06 EP disclosed
EP-0656900-A1 CATIONIC-2-HETEROARYLPHENYL-CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO. INC. (US) 1995-06-14 EP disclosed
US-5342933-A Cationic-2-heteroarylphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1994-08-30 US disclosed
WO-1994005669-A1 CATIONIC-2-HETEROARYLPHENYL-CARBAPENEM ANTIBACTERIAL AGENTS MERCK & CO., INC. (US) 1994-03-17 WO disclosed
US-5292879-A Intermediates for preparing cationic-2-heteroaryl-phenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1994-03-08 US disclosed
US-5220011-A Antibiotics effective against resistant grampositive bacteria MERCK & CO., INC. (US) 1993-06-15 US disclosed
EP-0520553-A1 2-Heteroarylphenyl-carbapenem antibacterial agents MERCK & CO. INC. (US) 1992-12-30 EP disclosed
US-5143914-A 2-heteroarylphenyl-carbapenem antibacterial agents MERCK & CO., INC. (US) 1992-09-01 US disclosed