SCHEMBL16622244

SCHEMBL16622244

Cc1ccccc1-c1nc(C)c(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.40
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
ADORA1 P30542 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTT P42858 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
DPP4 P27487 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 1/20 0.32

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
SCHEMBL16622229 0.86 PDK2 (0.38) PDK2MAPT
SCHEMBL15256047 0.82 RAB9A (0.44) PDK2KDM4EALDH1A1MEN1MAPT
SCHEMBL13072032 0.82 RAB9A (0.41) PDK2KDM4EALDH1A1MEN1MAPT
SCHEMBL15256056 0.81 TDP1 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL14307205 0.81 ALDH1A1 (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL24128650 0.81 PDK2 (0.40) PDK2KDM4EALDH1A1KMT2ALMNA
SCHEMBL24128512 0.81 PDK2 (0.40) PDK2KDM4EALDH1A1KMT2ALMNA
SCHEMBL24128475 0.80 PDK2 (0.46) PDK2KDM4EALDH1A1KMT2ALMNA
SCHEMBL24128612 0.80 PDK2 (0.43) PDK2KDM4EALDH1A1KMT2ALMNA
SCHEMBL30771414 0.80 KDM4E (0.41) PDK2KDM4EALDH1A1MEN1MAPT

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-8999520-B2 Organometallic complex and light emitting element, light emitting device, and electronic device using the organometallic complex SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-04-07 US disclosed