SCHEMBL11240035

SCHEMBL11240035

CCOC(=O)c1cnc2c(N(C)C)cccc2c1O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
POLB P06746 2/20 0.46
RAD52 P43351 2/20 0.46
UHRF1 Q96T88 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL11244854 0.86 KMT2A (0.65) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11249360 0.84 MAPT (0.57) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL6200113 0.84 CCR6 (0.54) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL9814048 0.83 KMT2A (0.51) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4152079 0.82 MAPT (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL11235620 0.82 MEN1 (0.57) KMT2AMEN1MAPT
SCHEMBL7938727 0.82 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL4152010 0.82 KMT2A (0.56) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL3061001 0.82 KMT2A (0.50) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL31681091 0.81 MEN1 (0.68) KMT2AMEN1MAPTALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4343804-A 4-Amino-3-quinolinecarboxylic acids and esters-antisecretory anti-ulcer compounds A. H. ROBINS COMPANY, INC. (US) 1982-08-10 US disclosed