SCHEMBL9851349

SCHEMBL9851349

CN1CCc2c1nc1cccc(F)c1c2N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.55
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
RAD52 P43351 1/20 0.46
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
ALDH1A1 P00352 3/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 2/20 0.42
HSD17B10 Q99714 2/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GLA P06280 1/20 0.39
RCE1 Q9Y256 1/20 0.39
BCHE P06276 3/20 0.39
GRIN1 Q05586 2/20 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
SCHEMBL9851333 0.91 ACHE (0.61) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL9851336 0.83 MEN1 (0.68) ACHEMEN1KMT2ANPC1RXFP1
Water SCHEMBL9851375 0.80 ACHE (0.45) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL5047155 0.77 KDM4E (0.68) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL9851392 0.76 ACHE (0.53) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL9851350 0.75 ACHE (0.61) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL9851343 0.75 ACHE (0.51) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL9851398 0.73 ACHE (0.52) ACHEMEN1KMT2ANPC1RXFP1
SCHEMBL8019759 0.71 ACHE (0.94) ACHEKDM4EALDH1A1LMNAHSD17B10
SCHEMBL9583084 0.71 ACHE (1.00) ACHEKDM4EALDH1A1LMNAHSD17B10

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