SCHEMBL27977333

SCHEMBL27977333

CC1(C)COB(c2ccc(-c3nccc4ccccc34)cc2)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 7/20 0.40
LIPG Q9Y5X9 7/20 0.40
KDM4E B2RXH2 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
GPR55 Q9Y2T6 1/20 0.38
HPGDS O60760 1/20 0.37

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
SCHEMBL1827474 0.86 LIPG (0.54) LPLLIPGKDM4ENPC1RAB9A
SCHEMBL16583519 0.75 LPL (0.46) LPLLIPG
SCHEMBL27921959 0.73 LIPG (0.50) LPLLIPG
SCHEMBL27978509 0.73 DYRK1A (0.41) LPLLIPGCYP3A4BACE1
SCHEMBL17413789 0.73 LIPG (0.44) LPLLIPGKDM4ENPC1RAB9A
SCHEMBL27977319 0.73 LPL (0.39) LPLLIPGKDM4EMAPTALDH1A1
SCHEMBL28049248 0.72 LPL (0.39) LPLLIPG
SCHEMBL12112873 0.71 MAPT (0.58) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL27905476 0.71 LPL (0.36) LPLLIPG
SCHEMBL528217 0.70 CYP2A6 (0.46) LPLLIPGKDM4ENPC1RAB9A

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
CN-104039773-A Cyclic azine compound having nitrogen-containing polycyclic aromatic group, method for producing same, and organic electroluminescent element comprising same as constituent component TOSOH CORP 2014-09-10 CN disclosed