SCHEMBL8818598

SCHEMBL8818598

CC(=O)n1cnc2ccccc21.Nc1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ MASP2 O00187 1/20 0.54
▸ NUDT1 P36639 1/20 0.54
▸ AOC3 Q16853 1/20 0.54
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 2/20 0.42
▸ ABL1 P00519 1/20 0.41
▸ FABP6 P51161 1/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ASAH1 Q13510 4/20 0.40
▸ HTT P42858 1/20 0.40
▸ STAT6 P42226 1/20 0.40
▸ PLAUR Q03405 1/20 0.39
▸ IDO1 P14902 1/20 0.39

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
SCHEMBL3078847 0.82 SMN1; SMN2 (0.59) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
Acetone SCHEMBL28960793 0.80 ALDH1A1 (0.78) KMT2AMEN1ALDH1A1MASP2NUDT1
Carbamic Acid SCHEMBL11093102 0.74 KMT2A (0.78) KMT2AMEN1ALDH1A1MASP2NUDT1
SCHEMBL9098 0.73 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MASP2NUDT1
SCHEMBL30587443 0.73 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MASP2NUDT1
Methyl Carbamate SCHEMBL6323881 0.72 ALDH1A1 (0.68) KMT2AMEN1ALDH1A1MASP2NUDT1
Hydrochloric Acid SCHEMBL6120210 0.72 ALDH1A1 (0.95) KMT2AMEN1ALDH1A1MASP2NUDT1
Hydrochloric Acid SCHEMBL2761621 0.72 ALDH1A1 (0.95) KMT2AMEN1ALDH1A1MASP2NUDT1
Bromide SCHEMBL117936 0.72 ALDH1A1 (0.95) KMT2AMEN1ALDH1A1MASP2NUDT1
Bromide SCHEMBL118626 0.72 ALDH1A1 (0.95) KMT2AMEN1ALDH1A1MASP2NUDT1

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-1997031047-A1 MULTI-FUNCTIONAL OXIRANE POLYMERS KEEHAN DONALD J (US) 1997-08-28 — — WO disclosed
Send feedback