SCHEMBL21454582

SCHEMBL21454582

Cn1c2ccc(-c3ccc(C(C)(C)C)cc3)cc2c2cc(-c3ccc(C(C)(C)C)cc3)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.45
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HTR1D P28221 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SERPINE1 P05121 3/20 0.38
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ XDH P47989 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
SCHEMBL25523207 0.88 GRM2 (0.44) KIF11ALDH1A1KDM4EHTR1DSERPINE1
SCHEMBL13766296 0.86 KDM4E (0.53) KIF11ALDH1A1KDM4EHPGDPOLB
SCHEMBL25058985 0.84 KIF11 (0.53) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2604384 0.83 HTR1D (0.50) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL13506801 0.83 ALDH1A1 (0.39) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23620586 0.82 KIF11 (0.44) KIF11ALDH1A1TSHRSERPINE1CA12
SCHEMBL23051528 0.82 KIF11 (0.44) KIF11ALDH1A1TSHRSERPINE1CA12
SCHEMBL16303829 0.82 TSHR (0.40) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL14112667 0.81 KIF11 (0.36) KIF11ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20850481 0.81 PTGES (0.45) KIF11TSHRSERPINE1CA12CA9

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
WO-2021135750-A1 ORGANIC COMPOUND, APPLICATION THEREOF, AND ORGANIC ELECTROLUMINESCENT DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 — — WO disclosed
WO-2019195104-A1 COMPOSITION OF MATTER FOR USE IN ORGANIC LIGHT-EMITTING DIODES KYULUX, INC. (JP) 2019-10-10 — — WO disclosed
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