SCHEMBL9851389

SCHEMBL9851389

COc1cccc(CN2CCCc3c2nc2cccc(Cl)c2c3N)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 2/20 0.47
NPC1 O15118 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
GRIN1 Q05586 4/20 0.45
GRIN2A Q12879 4/20 0.45
ACHE P22303 3/20 0.45
BCHE P06276 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
DRD2 P14416 1/20 0.41
KCNH2 Q12809 1/20 0.41
SLC2A1 P11166 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
MAOB P27338 3/20 0.41
HTR6 P50406 2/20 0.41
CLPP Q16740 1/20 0.41

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
SCHEMBL9851342 0.87 KMT2A (0.62) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL9851360 0.85 ACHE (0.51) KMT2AMEN1ACHEBCHEKDM4E
Hydrochloric Acid SCHEMBL9851346 0.83 KMT2A (0.60) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL9851398 0.75 ACHE (0.52) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL9851341 0.73 ALDH1A1 (0.62) KMT2AMEN1GRIN1GRIN2AACHE
Hydrochloric Acid SCHEMBL5578403 0.72 KDM4E (0.55) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL9851350 0.71 ACHE (0.61) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL4491778 0.70 ALDH1A1 (0.61) KMT2AMEN1GRIN1GRIN2AACHE
SCHEMBL9851336 0.69 MEN1 (0.68) KMT2AMEN1NPC1RXFP1GRIN1
SCHEMBL9851378 0.69 ACHE (0.48) KMT2AMEN1ACHEBCHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP claimed
EP-0430485-A2 Quinoline compound UBE INDUSTRIES, LTD. (JP) 1991-06-05 EP disclosed