SCHEMBL5501663

SCHEMBL5501663

Cc1cc(Br)cc(C)c1N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.40
ESR2 Q92731 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
NQO2 P16083 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASP3 P42574 1/20 0.35
NFKB2 Q00653 1/20 0.35

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
SCHEMBL25246547 0.82 ALDH1A1 (0.35) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL18489455 0.80 ESR1 (0.48) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL8358341 0.79 SIGMAR1 (0.50) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5503020 0.79 CA4 (0.39) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5493153 0.77 TTR (0.42) SMN1; SMN2ALDH1A1HTTNPC1RAB9A
SCHEMBL5493151 0.77 GABRA1 (0.44) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL29343067 0.75 ESR2 (0.46) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5589752 0.71 ALDH1A1 (0.39) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL14280811 0.71 ALDH1A1 (0.39) ESR1ESR2SMN1; SMN2ALDH1A1LMNA
SCHEMBL5589661 0.70 ALDH1A1 (0.38) ESR1ESR2SMN1; SMN2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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