SCHEMBL9851365

SCHEMBL9851365

Nc1c2c(nc3ccc(Cl)cc13)N(c1ccccc1)CC2

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.72
ALDH1A1 P00352 8/20 0.72
HPGD P15428 6/20 0.72
LMNA P02545 5/20 0.72
GAA P10253 4/20 0.72
MAPT P10636 6/20 0.67
KMT2A Q03164 6/20 0.67
MEN1 O00255 5/20 0.67
TSHR P16473 3/20 0.67
HSD17B10 Q99714 3/20 0.67
NPSR1 Q6W5P4 2/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
NPC1 O15118 1/20 0.63
RXFP1 Q9HBX9 1/20 0.63
MAPK1 P28482 1/20 0.59
HTT P42858 1/20 0.58
GLA P06280 1/20 0.55
NPY1R P25929 1/20 0.55

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
SCHEMBL5045994 0.85 KDM4E (0.88) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL31577611 0.77 KDM4E (0.60) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL9851362 0.74 KDM4E (0.72) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL31230012 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL22435548 0.72 KDM4E (0.59) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL4640583 0.71 HRH4 (0.43) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL11057550 0.70 ACHE (0.67) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL23573722 0.69 KDM4E (0.66) KDM4EALDH1A1HPGDLMNAGAA
SCHEMBL2434853 0.69 HRH4 (0.65) KDM4EALDH1A1NPSR1
SCHEMBL8006170 0.68 ACHE (1.00) ACHEBCHEGRIN1GRIN2A

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