SCHEMBL8950786

SCHEMBL8950786

O=C(C#CBr)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 2/20 0.59
ALDH1A1 P00352 5/20 0.57
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 3/20 0.55
GAA P10253 2/20 0.55
XBP1 P17861 1/20 0.55
TDP1 Q9NUW8 1/20 0.53
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
P2RX1 P51575 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RECQL P46063 1/20 0.52
PTGS1 P23219 1/20 0.51
USP2 O75604 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL8950893 0.85 MAPT (0.59) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL9167753 0.85 MAPT (0.59) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL8950918 0.81 MAPT (0.62) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL30101230 0.79 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL5597699 0.79 KMT2A (0.90) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2096021 0.77 MAPT (0.70) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL30130682 0.77 MAPT (0.75) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL4548162 0.77 KMT2A (0.87) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL2096025 0.77 MAPT (0.75) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL10885843 0.77 MAPT (0.70) MAPTMEN1KMT2AHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US claimed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP claimed
US-5538998-A PEST CONTROL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-07-23 US disclosed
EP-0649835-A1 Halopropiolamide compound, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-04-26 EP disclosed