SCHEMBL6628604

SCHEMBL6628604

CN(C)Cc1c[nH]c2cc(Br)ccc12.N#CCc1c[nH]c2cc(Br)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 3/20 0.62
CHRNB2 P17787 1/20 0.49
CHRNA7 P36544 1/20 0.49
CHRNA4 P43681 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
EGFR P00533 2/20 0.44
SLC6A4 P31645 4/20 0.44
BCHE P06276 1/20 0.43
HTR2A P28223 4/20 0.40
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
GPR84 Q9NQS5 1/20 0.40

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
SCHEMBL6031494 0.89 KDM4E (0.60) CSNK2A1CHRNB2CHRNA7CHRNA4KDM4E
SCHEMBL29354243 0.89 CSNK2A1 (0.77) CSNK2A1CHRNB2CHRNA7CHRNA4SLC6A4
SCHEMBL6029334 0.89 CSNK2A1 (0.77) CSNK2A1CHRNB2CHRNA7CHRNA4SLC6A4
Bromogramine SCHEMBL30279666 0.77 SLC6A4 (0.68) CSNK2A1KDM4EMEN1ALDH1A1CYP3A4
Bromogramine SCHEMBL1196680 0.77 SLC6A4 (0.68) CSNK2A1KDM4EMEN1ALDH1A1CYP3A4
SCHEMBL2005588 0.77 CSNK2A1 (1.00) CSNK2A1SLC6A4HTR2AHTR2CHTR2B
SCHEMBL15678339 0.76 SLC6A4 (0.56) KDM4EMEN1ALDH1A1CYP3A4CYP2D6
SCHEMBL22122400 0.75 CHRNB2 (0.60) CSNK2A1CHRNB2CHRNA7CHRNA4SLC6A4
SCHEMBL18824168 0.75 HTR2A (0.68) CHRNB2CHRNA7CHRNA4CYP2D6SLC6A4
SCHEMBL15074715 0.74 HTR2A (0.59) CSNK2A1CHRNB2CHRNA7CHRNA4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325011-B1 METHODS AND COMPOUNDS FOR TREATING PROLIFERATIVE DISEASES LILLY CO ELI (US) 2004-05-06 EP disclosed