SCHEMBL16201747

SCHEMBL16201747

Cc1cccc(N(c2ccc3c(c2)C(C)(C)c2cc(N(c4cccc(C)c4)c4ccc5ccccc5c4)c4ccccc4c2-3)c2ccc3ccccc3c2)c1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
CYP51A1 Q16850 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CYP2A6 P11509 1/20 0.31
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL24236169 0.93 SIGMAR1 (0.33) SIGMAR1
SCHEMBL16201751 0.92 CETP (0.32) TDP1NR1I2LMNACYP1A2CYP3A4
SCHEMBL16201731 0.91 HTT (0.36) TDP1CYP2A6HTTNPSR1L3MBTL1
SCHEMBL16201703 0.91 KDM4E (0.30)
SCHEMBL16201761 0.90 CYP2A6 (0.32) TDP1CYP2A6
SCHEMBL16144120 0.89 SIGMAR1 (0.36) SIGMAR1
SCHEMBL16144137 0.89 CYP2A6 (0.31) TDP1CYP1A2CYP2A6
SCHEMBL21253655 0.89 MAPT (0.32) MAPTSIGMAR1
SCHEMBL14932412 0.89 SIGMAR1 (0.34) SIGMAR1
SCHEMBL16144141 0.88 ABCG2 (0.31) CYP1A2CYP2A6

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9590182-B2 Benzofluorene compound, material for luminescent layer using said compound and organic electroluminescent device JNC CORPORATION (JP) 2017-03-07 US disclosed
US-9590182-B2 Benzofluorene compound, material for luminescent layer using said compound and organic electroluminescent device JNC CORPORATION (JP) 2017-03-07 US disclosed
US-20140319510-A1 BENZOFLUORENE COMPOUND, MATERIAL FOR LUMINESCENT LAYER USING SAID COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2014-10-30 US disclosed
US-20140319510-A1 BENZOFLUORENE COMPOUND, MATERIAL FOR LUMINESCENT LAYER USING SAID COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE JNC CORPORATION (JP) 2014-10-30 US disclosed