SCHEMBL11545247

SCHEMBL11545247

COC(=O)Nc1c(Br)cc(C(=O)CBr)cc1Br

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.42
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 4/20 0.36
KDM4E B2RXH2 2/20 0.36
USP2 O75604 1/20 0.36
POLB P06746 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
NOTUM Q6P988 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
SCHEMBL11547384 0.90 GSK3B (0.37) GSK3BALDH1A1KDM4EUSP2POLB
SCHEMBL11552737 0.83 GSK3B (0.42) GSK3BALDH1A1PTPN1KDM4EUSP2
SCHEMBL11547125 0.81 SMN1; SMN2 (0.41) ALDH1A1KDM4EUSP2POLBHSD17B10
SCHEMBL11308142 0.79 NLRP3 (0.46) GSK3BKDM4EPOLBHSD17B10HPGD
SCHEMBL11552739 0.79 GSK3B (0.44) GSK3BALDH1A1PTPN1HPGD
SCHEMBL21373264 0.75 GSK3B (0.52) GSK3BALDH1A1PTPN1HSD17B10HPGD
SCHEMBL1198090 0.72 GSK3B (0.58) GSK3BALDH1A1PTPN1HPGDRAB9A
SCHEMBL11549836 0.72 HPGD (0.39) GSK3BALDH1A1KDM4EHPGDRAB9A
SCHEMBL11546525 0.72 NLRP3 (0.49) GSK3BALDH1A1KDM4EPOLBHPGD
SCHEMBL11546761 0.71 ALDH1A1 (0.40) ALDH1A1KDM4EUSP2POLBHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4145363-A ANTIASTHMATICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed