SCHEMBL10918184

SCHEMBL10918184

COc1ccc(C(=O)c2[nH]c(=O)[nH]c2CN2CCN(c3cccc(Br)c3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 9/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ LMNA P02545 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ THRB P10828 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
Hydrochloric Acid SCHEMBL10918602 0.86 TSHR (0.55) DRD2KMT2AMEN1MAPTALDH1A1
SCHEMBL10922313 0.83 MEN1 (0.51) KMT2AMEN1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL10921886 0.82 KMT2A (0.58) DRD2KMT2AMEN1MAPTALDH1A1
SCHEMBL10918979 0.81 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1HSD17B10
SCHEMBL10917978 0.81 ALDH1A1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL10919669 0.80 NPC1 (0.50) KMT2AMEN1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL10922643 0.80 POLB (0.42) DRD2KMT2AMEN1MAPTALDH1A1
SCHEMBL10916248 0.80 ALDH1A1 (0.51) KMT2AMEN1MAPTALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL10917805 0.79 NPC1 (0.49) KMT2AMEN1MAPTALDH1A1LMNA
Hydrochloric Acid SCHEMBL10919861 0.79 MAPT (0.58) DRD2KMT2AMAPTALDH1A1KDM4E

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-0064704-B1 4-AMINOMETHYL-5-ACYL-1,3-DIHYDRO-2H-IMIDAZOL-2-ONES MERRELL DOW PHARMACEUTICALS INC. (US) 1986-04-16 — — EP disclosed
US-4381393-A 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1983-04-26 — — US disclosed
EP-0064704-A1 4-Aminomethyl-5-acyl-1,3-dihydro-2H-imidazol-2-ones MERRELL DOW PHARMACEUTICALS INC. (US) 1982-11-17 — — EP disclosed
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