SCHEMBL3836798

SCHEMBL3836798

Cc1nc2c(ccc3[nH]cc(OC(=O)O)c(=O)c32)s1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.35
RAB9A P51151 4/20 0.35
NPC1 O15118 4/20 0.35
KMT2A Q03164 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 3/20 0.33
HTT P42858 2/20 0.33
ALDH1A1 P00352 2/20 0.33
BLM P54132 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 3/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3836795 0.81 CYP1A2 (0.49) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL3840526 0.73 HSD17B10 (0.38) KMT2AMEN1HTTALDH1A1HSD17B10
SCHEMBL3840992 0.70 HSD17B10 (0.35) HSD17B10KDM4ECYP1A2
SCHEMBL3839941 0.70 KDM4E (0.38) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL10366863 0.67 KDM4E (0.37) HSD17B10KDM4ECYP1A2
SCHEMBL3840588 0.63 CYP1A2 (0.33) HSD17B10CYP1A2
SCHEMBL12930257 0.62 NPC1 (0.50) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL3817059 0.62 SLC22A6 (0.57) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL12930243 0.62 NPC1 (0.57) SMN1; SMN2RAB9ANPC1KMT2AMAPT
SCHEMBL18203885 0.62 P2RX7 (0.42) KMT2AMAPTMEN1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833830-B1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AG (DE) 2009-10-14 EP disclosed
EP-1833830-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME Bayer Schering Pharma Aktiengesellschaft (DE) 2007-09-19 EP disclosed
WO-2006066955-A1 QUINOLINE DERIVATIVE, USE AND PRODUCTION THEREOF, AND DRUG CONTAINING THE SAME BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2006-06-29 WO disclosed