SCHEMBL15034733

SCHEMBL15034733

CC(C)Cc1ccc2c(c1)[nH]c1ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.67
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
AHR P35869 1/20 0.52
GPR3 P46089 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46

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
SCHEMBL15847864 0.91 KIF11 (0.52) KIF11ALDH1A1KDM4EGABRA1GABRB2
SCHEMBL30618021 0.90 KIF11 (0.53) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL19901835 0.90 KIF11 (0.53) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL27465693 0.82 KIF11 (0.60) KIF11ALDH1A1KDM4EAHRGABRA1
SCHEMBL178257 0.81 KIF11 (0.47) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL278610 0.80 KIF11 (1.00) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL30618022 0.80 KMT2A (0.48) KIF11ALDH1A1KDM4EHSD17B10GABRP
SCHEMBL2596774 0.80 KMT2A (0.48) KIF11ALDH1A1KDM4EHSD17B10GABRP
SCHEMBL27920319 0.79 KIF11 (0.56) KIF11ALDH1A1KDM4EAHRGPR3
SCHEMBL21183494 0.77 KIF11 (0.51) KIF11ALDH1A1KDM4EAHR

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
EP-3778596-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co.,Ltd. (JP) 2021-02-17 EP disclosed
WO-2019189033-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2019-10-03 WO disclosed
WO-2019182411-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2019-09-26 WO disclosed
US-8466256-B2 Polymer, organic photoelectronic device, and display including the same CHEIL INDUSTRIES, INC. (KR) 2013-06-18 US disclosed