SCHEMBL15930375

SCHEMBL15930375

CC(C)c1nc2ccccc2n1-c1ccc(-n2c3ccccc3c3c4oc5ccccc5c4ccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CYP1A2 P05177 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP2C9 P11712 1/20 0.42
CRBN Q96SW2 1/20 0.41
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
LMNA P02545 2/20 0.36
CNR2 P34972 1/20 0.35
PDE10A Q9Y233 2/20 0.34
MAPK1 P28482 2/20 0.33
HTT P42858 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL15930361 0.86 MAPK1 (0.50) RAB9ASMN1; SMN2PIK3CDPIK3CAPIK3CB
SCHEMBL15930384 0.85 DRD1 (0.39) RAB9ASMN1; SMN2LMNACNR2PDE10A
SCHEMBL15930359 0.83 POLB (0.43) RAB9ASMN1; SMN2CYP1A2PDE10AMAPK1
SCHEMBL9889944 0.82 KDM4E (0.43) SMN1; SMN2NPSR1LMNAMAPK1HTT
SCHEMBL15930315 0.82 ESR2 (0.51) RAB9ANPSR1MAPK1HTTMEN1
SCHEMBL15930387 0.82 ALDH1A1 (0.47) RAB9ASMN1; SMN2CYP1A2NPSR1LMNA
SCHEMBL15930360 0.81 RAB9A (0.45) RAB9ASMN1; SMN2CYP1A2CYP2C9LMNA
SCHEMBL17246179 0.81 KDM4E (0.46) SMN1; SMN2NPSR1LMNAMAPK1HTT
SCHEMBL17246107 0.81 MAPK1 (0.40) RAB9ASMN1; SMN2CYP1A2NPSR1CYP2C9
SCHEMBL15930307 0.81 ESR1 (0.47) RAB9ASMN1; SMN2NPSR1LMNAMAPK1

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
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed
US-20140217393-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. 2014-08-07 US disclosed