SCHEMBL17849332

SCHEMBL17849332

CC(C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(C(C)(C)C)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.48
PTGES O14684 1/20 0.48
ALOX5 P09917 1/20 0.48
CYP19A1 P11511 2/20 0.43
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP2C9 P11712 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL16344297 1.00 KIF11 (0.48) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL18372419 1.00 KIF11 (0.48) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL14447688 1.00 KIF11 (0.48) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL19862775 0.98 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL17780059 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL6825704 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL12780882 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL14447686 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL14653706 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53
SCHEMBL20386504 0.96 KIF11 (0.47) KIF11PTGESALOX5CYP19A1TP53

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-9373791-B2 Hole transport polymeric compound and polymer light emitting diode using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-21 US disclosed
US-9373791-B2 Hole transport polymeric compound and polymer light emitting diode using the same GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-06-21 US disclosed