SCHEMBL15747866

SCHEMBL15747866

O=C(OCc1ccccc1)N1CCN(c2ccc(-n3c(=O)[nH]c4cnc5ccc(Br)cc5c43)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ HSD17B10 Q99714 6/20 0.43
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 1/20 0.43
▸ ADORA2A P29274 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ TMEM97 Q5BJF2 4/20 0.40
▸ SIGMAR1 Q99720 4/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ HTR1A P08908 2/20 0.40
▸ ADRA2C P18825 2/20 0.40
▸ HRH2 P25021 2/20 0.40
▸ HRH1 P35367 2/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ DRD1 P21728 1/20 0.40
▸ HTR1B P28222 1/20 0.40

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
SCHEMBL15747771 0.89 GRIN2B (0.42) MAPTHSD17B10SMN1; SMN2CYP3A4CYP2D6
SCHEMBL15747824 0.86 LNPEP (0.43) MAPTHSD17B10ALDH1A1HPGDPOLB
SCHEMBL15747831 0.84 ADORA2A (0.47) ALDH1A1ADORA2AADORA2BPOLBTMEM97
SCHEMBL31439287 0.83 MAPT (0.42) MAPTHSD17B10ALDH1A1SMN1; SMN2LMNA
SCHEMBL15747804 0.79 MTOR (0.40) TMEM97SIGMAR1HTR1AHRH2HRH1
SCHEMBL18998180 0.78 GABRA1 (0.54) HSD17B10ALDH1A1HPGDLMNAL3MBTL1
SCHEMBL15747839 0.76 CA1 (0.44) MAPTALDH1A1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL975238 0.75 NPSR1 (0.60) MAPTALDH1A1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL15747857 0.74 CA1 (0.42) MAPTALDH1A1TMEM97SIGMAR1SMN1; SMN2
SCHEMBL15747763 0.73 PIK3CA (0.42) ALDH1A1POLBSMN1; SMN2KDM4ECYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014079364-A1 IMIDAZOLONE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF 北京富龙康泰生物技术有限公司 (CN) 2014-05-30 — — WO disclosed
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