SCHEMBL18164861

SCHEMBL18164861

O=S(=O)(Oc1cc(N(c2ccccc2)c2ccc3c(c2)oc2ccccc23)ccc1N(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.34
▸ MEN1 O00255 7/20 0.34
▸ KDM4E B2RXH2 5/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ MAOA P21397 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MAPT P10636 7/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 4/20 0.33
▸ HTT P42858 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ AHR P35869 1/20 0.33
▸ HPGD P15428 3/20 0.32
▸ GAA P10253 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TSHR P16473 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ TP53 P04637 1/20 0.32

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
SCHEMBL18164818 0.87 MAOB (0.36) KMT2AMEN1KDM4ENPSR1NPC1
SCHEMBL18164852 0.84 ALOX5 (0.39) —
SCHEMBL18164868 0.84 CA12 (0.32) KMT2AMEN1KDM4ENPSR1ALDH1A1
SCHEMBL18164809 0.80 HTT (0.35) KMT2AMEN1KDM4ENPSR1NPC1
SCHEMBL18164817 0.80 CA1 (0.31) NPC1MAOARAB9AMAPTALDH1A1
SCHEMBL18164786 0.79 SMN1; SMN2 (0.37) KMT2AMEN1KDM4ENPSR1NPC1
SCHEMBL18164869 0.77 KEAP1 (0.32) RAB9AMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL18164854 0.77 HPGD (0.33) KMT2AMEN1KDM4ENPSR1MAPT
SCHEMBL24623784 0.77 AHR (0.52) KMT2AMEN1KDM4ENPSR1NPC1
SCHEMBL14295300 0.77 AHR (0.52) KMT2AMEN1KDM4ENPSR1NPC1

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-2016167491-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC APPARATUS 덕산네오룩스 주식회사 2016-10-20 — — WO disclosed
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