SCHEMBL8950893

SCHEMBL8950893

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.59
KMT2A Q03164 4/20 0.59
MEN1 O00255 3/20 0.59
HTT P42858 2/20 0.59
RAB9A P51151 1/20 0.59
ALDH1A1 P00352 6/20 0.57
TP53 P04637 1/20 0.56
GAA P10253 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
XBP1 P17861 1/20 0.55
KDR P35968 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
PKM P14618 1/20 0.52
P2RX1 P51575 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C19 P33261 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
SCHEMBL9167753 0.85 MAPT (0.59) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8950786 0.85 MAPT (0.59) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8950918 0.81 MAPT (0.62) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL20560345 0.79 MAPT (0.68) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL5597699 0.79 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL30101230 0.79 KMT2A (0.90) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL8950776 0.78 MEN1 (0.62) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL2096021 0.77 MAPT (0.70) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL2096025 0.77 MAPT (0.75) MAPTKMT2AMEN1HTTRAB9A
SCHEMBL4548162 0.77 KMT2A (0.87) MAPTKMT2AMEN1HTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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