SCHEMBL15930336

SCHEMBL15930336

CC1(C)c2ccccc2-c2c1n(-c1ccc(-c3ccc(-c4ccc5ccc6cccnc6c5n4)cc3)cc1)c1ccccc21

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
KDM4E B2RXH2 4/20 0.31
MAPT P10636 4/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2D6 P10635 3/20 0.31
HTT P42858 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CCR1 P32246 2/20 0.31
CCR5 P51681 2/20 0.31
CCR8 P51685 2/20 0.31
LMNA P02545 2/20 0.31
GMNN O75496 1/20 0.31
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL15930458 0.89 HTR2A (0.34) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL15930344 0.86 MAP4K1 (0.35) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL17809037 0.85 MAP4K1 (0.35) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL15930334 0.85 KDM4E (0.31) KDM4EMAPTTDP1MEN1NPC1
SCHEMBL15930333 0.85 L3MBTL1 (0.31) KDM4EMAPTTDP1CCR1CCR5
SCHEMBL16275702 0.84 MAP4K1 (0.31) HTTAKT1MAP4K1AKT2AKT3
SCHEMBL16275795 0.84 MAP4K1 (0.31) HTTAKT1MAP4K1AKT2AKT3
SCHEMBL15930322 0.82 AKT1 (0.30) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL15930323 0.82 AKT1 (0.30) HTR2AHTR2CHTR2BKDM4EMAPT
SCHEMBL15930339 0.81 MAP4K1 (0.31) CCR1CCR5CCR8AKT1MAP4K1

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