SCHEMBL5493151

SCHEMBL5493151

CC(C)c1cc(Br)cc(C(C)C)c1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.44
GABRB1 P18505 2/20 0.44
LMNA P02545 3/20 0.39
HTT P42858 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
BCL2 P10415 1/20 0.36
MCL1 Q07820 1/20 0.36
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GABRB2 P47870 1/20 0.33
NLRP3 Q96P20 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33

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
SCHEMBL1638850 0.84 SMN1; SMN2 (0.43) LMNAGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12646934 0.84 SMN1; SMN2 (0.43) LMNAGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1638849 0.84 SMN1; SMN2 (0.43) LMNAGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL18489441 0.82 LMNA (0.50) GABRA1GABRB1LMNAHTTGAA
SCHEMBL5498337 0.81 GABRA1 (0.37) GABRA1GABRB1LMNAHTTGAA
SCHEMBL5501663 0.77 ESR1 (0.40) LMNAHTTGAAKMT2ASMN1; SMN2
SCHEMBL1638855 0.75 CTSL (0.51) HTTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12647006 0.75 CTSL (0.51) HTTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL1638856 0.75 CTSL (0.51) HTTGAAKMT2ASMN1; SMN2ALDH1A1
SCHEMBL12765490 0.74 SMN1; SMN2 (0.37) LMNAGAAKMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115322154-A Synthesis method of 1, 3-bis (4-carboxyphenyl-2, 6-diisopropyl) imidazolium chloride 上海师范大学 2022-11-11 CN claimed
CN-115322154-A Synthesis method of 1, 3-bis (4-carboxyphenyl-2, 6-diisopropyl) imidazolium chloride 上海师范大学 2022-11-11 CN disclosed
CN-115322154-A Synthesis method of 1, 3-bis (4-carboxyphenyl-2, 6-diisopropyl) imidazolium chloride 上海师范大学 2022-11-11 CN disclosed
US-7244805-B2 Bimetallic zinc complex and process of producing polycarbonate using the same as polymerization catalyst LG CHEM LTD. (KR) 2007-07-17 US disclosed
US-20060135743-A1 Bimetallic zinc complex and process of producing polycarbonate using the same as polymerization catalyst LG CHEM LTD. (KR) 2006-06-22 US disclosed
WO-2006065001-A1 BIMETALLIC ZINC COMPLEX AND PROCESS OF PRODUCING POLYCARBONATE USING THE SAME AS POLYMERIZATION CATALYST LG CHEM. LTD. (KR) 2006-06-22 WO disclosed