SCHEMBL28811693

SCHEMBL28811693

CC(=O)[C@@H]1CC(=O)N(C(C)c2ccccc2)C1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.81
MAPK1 P28482 1/20 0.64
MAPT P10636 1/20 0.51
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.43
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
GRM5 P41594 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL8328489 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL8329901 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL8330227 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL522714 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL9715621 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL523889 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL522715 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL523888 1.00 KMT2A (0.81) KMT2AMAPK1MAPTLMNAALOX15
SCHEMBL1263214 0.90 KMT2A (1.00) KMT2AMAPK1MAPTALOX15SMN1; SMN2
SCHEMBL739575 0.90 KMT2A (1.00) KMT2AMAPK1MAPTALOX15SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827090-B Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-04-20 CN disclosed
CN-103827090-A Substituted quinolines and their use as pharmaceuticals BOEHRINGER INGELHEIM INT 2014-05-28 CN disclosed