SCHEMBL8586278

SCHEMBL8586278

FC(F)(F)c1cc(N=C(c2ccccc2)c2ccccc2)ccc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ EPHX1 P07099 1/20 0.44
▸ ESR1 P03372 6/20 0.43
▸ ESR2 Q92731 6/20 0.43
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ HTR3E A5X5Y0 1/20 0.40
▸ HTR3B O95264 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ HTR3D Q70Z44 1/20 0.40
▸ HTR3C Q8WXA8 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36

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
SCHEMBL6135928 0.79 ESR1 (0.44) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL30402030 0.78 ESR1 (0.40) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL24399684 0.75 CYP3A4 (0.44) ESR1ESR2HTR3EHTR3BHTR3A
SCHEMBL7931343 0.73 ESR1 (0.40) ESR1ESR2IDO1TDO2
SCHEMBL29220712 0.73 HTR3E (0.55) LMNAESR1ESR2HTR3EHTR3B
SCHEMBL30886807 0.73 ESR1 (0.38) MAPTMEN1KMT2ALMNAEPHX1
SCHEMBL11735726 0.72 MEN1 (0.61) MAPTMEN1KMT2ALMNAEPHX1
SCHEMBL8355981 0.72 ESR1 (0.39) ESR1ESR2IDO1TDO2
SCHEMBL11822345 0.71 HTR3E (0.42) MAPTMEN1KMT2ALMNAEPHX1
SCHEMBL11822338 0.71 HTR3E (0.42) MAPTMEN1KMT2ALMNAEPHX1

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
WO-1999028290-A1 SYNTHESIS OF OLIGOARYLAMINES, AND USES AND REAGENTS RELATED THERETO MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1999-06-10 — — WO disclosed
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