SCHEMBL9375337

SCHEMBL9375337

Cc1cccnc1CCc1cc(Br)c2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 3/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
HPGD P15428 1/20 0.36
NSD1 Q96L73 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.33
PIK3CD O00329 1/20 0.33
PIP5K1C O60331 1/20 0.33
PI4KA P42356 1/20 0.33
PIK3CG P48736 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
ADORA2A P29274 2/20 0.32
ADORA1 P30542 2/20 0.32
TGFBR1 P36897 1/20 0.32
PRMT5 O14744 1/20 0.32
CYP3A4 P08684 2/20 0.32

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
SCHEMBL9382376 0.80 RAB9A (0.55) ALDH1A1HSD17B10RAB9AMAPTTP53
SCHEMBL9376802 0.80 DRD2 (0.41) HSD17B10RAB9AMAPTNSD1NPC1
SCHEMBL9376147 0.76 HSD17B10 (0.43) ALDH1A1HSD17B10RAB9AMAPTNSD1
SCHEMBL2920238 0.70 NSD1 (0.50) ALDH1A1HSD17B10RAB9AMAPTNSD1
SCHEMBL9376768 0.68 GFER (0.48) RAB9AMAPTTP53SMN1; SMN2NPC1
SCHEMBL2271143 0.68 HSD17B10 (0.68) ALDH1A1HSD17B10RAB9AMAPTTP53
SCHEMBL9375658 0.67 NOS3 (0.42) HSD17B10RAB9ATP53HPGDSMN1; SMN2
SCHEMBL2912621 0.66 RAB9A (0.45) ALDH1A1HSD17B10RAB9AMAPTHPGD
SCHEMBL21177806 0.66 CYP3A4 (0.46) ALDH1A1HSD17B10RAB9AMAPTTP53
SCHEMBL9377356 0.66 RAB9A (0.41) RAB9AMAPTSMN1; SMN2NPC1LMNA

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