SCHEMBL9376830

SCHEMBL9376830

Cc1[nH]cnc1CCc1ccc2[nH]c(N)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
HRH4 Q9H3N8 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
FABP6 P51161 1/20 0.41
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
MASP2 O00187 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NUDT1 P36639 1/20 0.36
AOC3 Q16853 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
QTRT1 Q9BXR0 1/20 0.35
BACE1 P56817 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GFER P55789 1/20 0.34
HTR3A P46098 3/20 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
Hydrochloric Acid SCHEMBL9379279 0.78 FABP6 (0.42) FABP6MEN1KMT2AMASP2ALDH1A1
SCHEMBL5679917 0.76 FABP6 (0.47) TDP1FABP6MEN1KMT2AMASP2
SCHEMBL3500724 0.74 ATP4A (0.46) FABP6MEN1KMT2AMASP2ALDH1A1
SCHEMBL9376065 0.73 RAB9A (0.55) HRH2HRH1HRH4HRH3TDP1
SCHEMBL10742995 0.73 HRH3 (0.51) HRH2HRH1HRH4HRH3TDP1
SCHEMBL5681591 0.73 TYMS (0.52) HRH4HRH3TDP1FABP6MEN1
SCHEMBL9377413 0.71 NUDT1 (0.45) HRH1HRH4HRH3MEN1KMT2A
SCHEMBL9378084 0.71 ALDH1A1 (0.35) FABP6MEN1KMT2AMASP2ALDH1A1
SCHEMBL15938795 0.71 ALDH1A1 (0.50) TDP1FABP6MEN1KMT2AMASP2
SCHEMBL727387 0.70 TYMS (0.49) TDP1FABP6MEN1KMT2AMASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0356234-B1 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-05-11 EP disclosed
US-5047411-A Antiulcer Agents, H2-Receptor Antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0356234-A2 New Benzazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed