SCHEMBL9835121

SCHEMBL9835121

CC(=O)N1CCC(C2CNc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1F P30939 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
BAZ2B Q9UIF8 1/20 0.40
RAB9A P51151 1/20 0.40
ITGB2 P05107 1/20 0.40
ICAM1 P05362 1/20 0.40
ITGAL P20701 1/20 0.40
HIF1A Q16665 1/20 0.39
POLB P06746 1/20 0.39
MET P08581 1/20 0.38

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
SCHEMBL5705156 0.78 ALDH1A1 (0.44) HTR1AHTR1DHTR1FALDH1A1HPGD
SCHEMBL18324790 0.74 HTR1A (0.49) HTR1AHTR1DHTR1FALDH1A1MAPT
SCHEMBL12813209 0.70 CHRNB4 (0.49) ALDH1A1MAPTGAARAB9AHIF1A
SCHEMBL8113614 0.70 GAPDH (0.52) ALDH1A1MAPTHIF1A
SCHEMBL2227387 0.69 CHRNB4 (0.44) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL4184580 0.68 ALDH1A1 (0.58) ALDH1A1HPGDLMNAMAPTGAA
SCHEMBL9836165 0.68 KDM4E (0.63) HTR1AHTR1DHTR1FALDH1A1MAPT
SCHEMBL9942558 0.68 CHRNB4 (0.49) ALDH1A1MAPTRAB9A
SCHEMBL27596768 0.68 CHRNB4 (0.49) ALDH1A1MAPTGAAKMT2ARAB9A
SCHEMBL27634211 0.68 CHRNB4 (0.49) ALDH1A1MAPTKMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1017707-B PROCESS FOR PREPARATION OF NEW THIAZOLE COMPOUNDS FUJISAWA PHARMACEUTICAL CO (JP) 1992-08-05 CN disclosed
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
CN-86108205-A New thiazolium compounds and preparation method thereof and their pharmaceutical composition 1987-06-17 CN disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP disclosed