SCHEMBL1086771

SCHEMBL1086771

Cc1cc(C(C)(C)C)cc(C)c1Nc1ccc(-c2ccc(Nc3c(C)cc(C(C)(C)C)cc3C)c(-c3ccc(Br)cc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 5/20 0.50
HTR1D P28221 1/20 0.32
HTR1B P28222 1/20 0.32
POLB P06746 1/20 0.32
AGPAT2 O15120 1/20 0.32
TNIK Q9UKE5 3/20 0.31
RXRB P28702 2/20 0.31
RXRA P19793 1/20 0.31
ACP1 P24666 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
MAPKAPK2 P49137 1/20 0.30
APP P05067 1/20 0.30
TDP2 O95551 1/20 0.30

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
SCHEMBL1087391 0.92 RAPGEF4 (0.49) RAPGEF4HTR1DHTR1BTNIKAPP
SCHEMBL6131646 0.84 AKR1C3 (0.39) RAPGEF4ACP1AKR1C3AKR1C2MAPKAPK2
SCHEMBL1086767 0.83 RAPGEF4 (0.54) RAPGEF4HTR1DHTR1BAGPAT2APP
SCHEMBL31013582 0.77 AKR1C3 (0.44) AKR1C3AKR1C2
SCHEMBL10002566 0.76 RAPGEF4 (0.44) RAPGEF4AKR1C3AKR1C2MAPKAPK2APP
SCHEMBL14981045 0.75 RAPGEF4 (0.59) RAPGEF4HTR1DHTR1BPOLB
SCHEMBL30675131 0.73 ALDH1A1 (0.50) ACP1AKR1C3AKR1C2MAPKAPK2
SCHEMBL26877419 0.73 ALDH1A1 (0.50) ACP1AKR1C3AKR1C2MAPKAPK2
SCHEMBL1087390 0.73 RAPGEF4 (0.55) RAPGEF4HTR1DHTR1BAGPAT2
SCHEMBL31013596 0.72 HSD17B2 (0.44) RXRBRXRAAKR1C3AKR1C2MAPKAPK2

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-8153276-B2 Polymer compound and polymer light emitting device using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-10 US disclosed