SCHEMBL440812

SCHEMBL440812

CCOC(=O)c1cnc2c(CC)cccc2c1N

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.70
NPC1 O15118 2/20 0.70
RAB9A P51151 2/20 0.70
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.52
HPGD P15428 1/20 0.52
MEN1 O00255 2/20 0.50
HSD17B10 Q99714 1/20 0.49
TP53 P04637 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HAVCR2 Q8TDQ0 1/20 0.46

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
SCHEMBL438878 0.88 KMT2A (0.71) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL9814056 0.86 KMT2A (0.59) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL440043 0.86 KMT2A (0.68) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL437697 0.86 KMT2A (0.68) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL440425 0.86 KMT2A (0.68) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL10126200 0.86 KMT2A (0.68) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL9814048 0.85 KMT2A (0.51) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL436627 0.85 KMT2A (0.67) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL2021172 0.84 KMT2A (0.70) KMT2ANPC1RAB9AALDH1A1MAPT
SCHEMBL442163 0.84 KMT2A (0.65) KMT2ANPC1RAB9AALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed
EP-0245054-B1 QUINOLINE AMIDES ICI AMERICAS INC. (US) 1991-08-07 EP disclosed
US-4904651-A Anxiolytic 4-aminoquinoline-3-carboxamides ICI AMERICAS INC. (US) 1990-02-27 US disclosed
EP-0245054-A1 Quinoline amides ICI AMERICAS INC. (US) 1987-11-11 EP disclosed