SCHEMBL8923922

SCHEMBL8923922

N=C(c1ccc(C(=O)CBr)cc1)N1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 4/20 0.65
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
PTPN1 P18031 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
MPI P34949 1/20 0.44
PHGDH O43175 2/20 0.44
F10 P00742 1/20 0.44
HPGD P15428 3/20 0.43
HSD17B10 Q99714 2/20 0.43
MGLL Q99685 2/20 0.43
ALOX15 P16050 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL8495017 0.80 MAPT (0.51) SMN1; SMN2ALDH1A1KMT2AMAPTPHGDH
SCHEMBL541208 0.79 GSK3B (1.00) GSK3BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL10131844 0.78 MGLL (0.68) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
SCHEMBL11659648 0.76 SMN1; SMN2 (0.70) GSK3BSMN1; SMN2NPC1ALDH1A1KMT2A
SCHEMBL14058819 0.75 GSK3B (0.65) GSK3BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL15651912 0.75 MGLL (0.44) SMN1; SMN2ALDH1A1KMT2AMAPTLMNA
SCHEMBL13185332 0.74 FKBP1A (0.51) SMN1; SMN2NPC1RAB9AALDH1A1KMT2A
Bromide SCHEMBL14054592 0.74 GSK3B (0.63) GSK3BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16787545 0.73 L3MBTL1 (0.58) GSK3BSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17065052 0.73 L3MBTL1 (0.65) GSK3BSMN1; SMN2NPC1ALDH1A1KMT2A

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-5639770-A SUPEROXIDE INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-06-17 US disclosed
EP-0600092-A1 THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed