SCHEMBL9851336

SCHEMBL9851336

CN1CCc2c1nc1cccc(Cl)c1c2N

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
NPC1 O15118 1/20 0.68
RXFP1 Q9HBX9 1/20 0.68
GRIN1 Q05586 4/20 0.55
GRIN2A Q12879 4/20 0.55
ACHE P22303 4/20 0.55
BCHE P06276 2/20 0.53
RAD52 P43351 1/20 0.49
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 2/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADRA2A P08913 1/20 0.42

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
SCHEMBL9851350 0.91 ACHE (0.61) MEN1KMT2ANPC1RXFP1GRIN1
SCHEMBL9851349 0.83 ACHE (0.55) MEN1KMT2ANPC1RXFP1GRIN1
SCHEMBL5047155 0.80 KDM4E (0.68) MEN1KMT2ANPC1RXFP1GRIN1
SCHEMBL9851333 0.75 ACHE (0.61) MEN1KMT2ANPC1RXFP1GRIN1
SCHEMBL9851342 0.74 KMT2A (0.62) MEN1KMT2ANPC1RXFP1GRIN1
Hydrochloric Acid SCHEMBL9851346 0.72 KMT2A (0.60) MEN1KMT2ANPC1RXFP1GRIN1
SCHEMBL9584574 0.71 ACHE (1.00) GRIN1GRIN2AACHEBCHEKDM4E
SCHEMBL5686225 0.71 GRIN1 (1.00) GRIN1GRIN2AACHEBCHEKDM4E
SCHEMBL5045645 0.70 KDM4E (0.66) MEN1KMT2AGRIN1GRIN2AACHE
SCHEMBL5049423 0.70 RAD52 (0.88) MEN1KMT2AGRIN1GRIN2AACHE

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