SCHEMBL9999807

SCHEMBL9999807

Cc1ccc(N(c2ccc(C)cc2)c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KIF11 P52732 5/20 0.42
MGLL Q99685 1/20 0.41
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
CA9 Q16790 1/20 0.41
NFE2L2 Q16236 1/20 0.39
DHFR P00374 1/20 0.37
MLYCD O95822 1/20 0.37
LIPE Q05469 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ORAI1 Q96D31 1/20 0.37
ORAI2 Q96SN7 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
SCHEMBL14200077 0.94 KIF11 (0.50) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL17409153 0.94 KIF11 (0.50) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL17409156 0.94 KIF11 (0.50) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL4298574 0.88 MGLL (0.50) TSHRALDH1A1KIF11MGLLCES2
SCHEMBL23059787 0.86 PTPN1 (0.40) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL9999806 0.85 NFE2L2 (0.40) TSHRALDH1A1KIF11NFE2L2DHFR
SCHEMBL17816159 0.85 TSHR (0.55) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL91414 0.85 TSHR (0.55) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL26042969 0.84 TSHR (0.46) TSHRALDH1A1CYP1A1CYP1B1KIF11
SCHEMBL19888144 0.83 CYP3A4 (0.46) TSHRALDH1A1ACHELIPE

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-4234524-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-30 EP disclosed
EP-4219436-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF Duk San Neolux Co., Ltd. (KR) 2023-08-02 EP disclosed
US-8124248-B2 Light-emissive polymer blends and light-emissive devices made from the same CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2012-02-28 US disclosed
US-20070154736-A1 Light-Emissive Polymer Blends and Light-Emissive Devices Made From the Same CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2007-07-05 US disclosed