SCHEMBL9999806

SCHEMBL9999806

Cc1ccc(N(c2ccc(C)cc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.40
S1PR1 P21453 1/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
TACR1 P25103 2/20 0.37
KIF11 P52732 2/20 0.37
P2RX1 P51575 2/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
DHFR P00374 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
IKBKB O14920 1/20 0.34
FFAR1 O14842 1/20 0.34

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
SCHEMBL12937113 0.89 CES2 (0.39) S1PR1ALDH1A1TSHRTACR1KIF11
SCHEMBL14416256 0.86 RAPGEF4 (0.37) NFE2L2S1PR1TSHRRAPGEF4TACR1
SCHEMBL9999807 0.85 TSHR (0.42) NFE2L2ALDH1A1TSHRKIF11DHFR
SCHEMBL16481986 0.83 RXRA (0.44) S1PR1TACR1KIF11P2RX1
SCHEMBL9999808 0.83 NFE2L2 (0.51) NFE2L2ALDH1A1TSHRRAPGEF4POLB
SCHEMBL12937189 0.82 ESR1 (0.37) S1PR1ALDH1A1TSHRTACR1KIF11
SCHEMBL16707584 0.82 TAS2R14 (0.40) ALDH1A1TSHRRAPGEF4TACR1KIF11
SCHEMBL21392006 0.82 TSHR (0.50) ALDH1A1TSHRPOLBMAPT
SCHEMBL16710463 0.82 ALDH1A1 (0.46) ALDH1A1TSHRTACR1KIF11P2RX1
SCHEMBL14416253 0.81 RAPGEF4 (0.41) S1PR1RAPGEF4TACR1KIF11MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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