SCHEMBL8978352

SCHEMBL8978352

COc1ccc2[nH]c(C)c(C(C(=O)c3ccc(Cl)cc3)c3cc(=O)n(-c4cccc(Br)c4)[nH]3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALKBH5 Q6P6C2 2/20 0.38
▸ PIKFYVE Q9Y2I7 1/20 0.37
▸ PDGFRB P09619 4/20 0.36
▸ FGFR1 P11362 4/20 0.36
▸ KDR P35968 4/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ VDR P11473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33

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
SCHEMBL8978324 0.94 ALKBH5 (0.42) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978312 0.94 ALKBH5 (0.40) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978232 0.92 ALKBH5 (0.39) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978334 0.91 NPSR1 (0.40) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978350 0.91 TRPV1 (0.38) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978390 0.91 ALKBH5 (0.38) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978368 0.89 ALDH1A1 (0.41) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978300 0.89 PDGFRB (0.40) PIKFYVEPDGFRBFGFR1KDRTRPV1
SCHEMBL8978237 0.89 TRPV1 (0.40) ALKBH5PIKFYVEPDGFRBFGFR1KDR
SCHEMBL8978362 0.88 PDGFRB (0.38) ALKBH5PIKFYVEPDGFRBFGFR1KDR

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-5484940-A ULTRAVIOLET RADIATION ABSORBERS FOR PLASTICS, AMYLOID PEPTIDE INHIBITORS, ALZHEIMER*S DISEASE ATHENA NEUROSCIENCES, INC. 1996-01-16 — — US disclosed
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