SCHEMBL11545577

SCHEMBL11545577

NC(=O)Nc1c(Cl)cc(C(=O)CBr)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.43
PTPN1 P18031 6/20 0.37
NPC1 O15118 2/20 0.35
BCAT2 O15382 1/20 0.34
RAB9A P51151 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL11552737 0.81 GSK3B (0.42) GSK3BPTPN1RAB9AALDH1A1MEN1
SCHEMBL11546286 0.80 GSK3B (0.41) GSK3BPTPN1NPC1RAB9AALDH1A1
SCHEMBL11553122 0.79 GSK3B (0.46) GSK3BPTPN1RAB9AALDH1A1MEN1
SCHEMBL11545125 0.78 GSK3B (0.39) GSK3BMEN1KMT2AKDM4EMAPT
SCHEMBL11547021 0.77 CA5A (0.39) NPC1BCAT2RAB9AALDH1A1MEN1
SCHEMBL11546525 0.76 NLRP3 (0.49) GSK3BALDH1A1MEN1KMT2AKDM4E
SCHEMBL11545679 0.76 GSK3B (0.43) GSK3BPTPN1RAB9AALDH1A1MEN1
SCHEMBL2876065 0.76 GSK3B (0.50) GSK3BPTPN1ALDH1A1KDM4EGAA
SCHEMBL11547384 0.75 GSK3B (0.37) GSK3BRAB9AALDH1A1MEN1KMT2A
SCHEMBL11545239 0.75 HPGD (0.43) GSK3BNPC1RAB9AMEN1KMT2A

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