SCHEMBL8950773

SCHEMBL8950773

O=C(C#CBr)NCCc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
CNR1 P21554 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
HSD11B1 P28845 1/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
NPC1 O15118 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAAR1 Q96RJ0 1/20 0.47
ALOX15 P16050 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL4180099 0.83 RAB9A (0.52) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9230146 0.82 RAB9A (0.53) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4171931 0.79 HTT (0.54) RAB9ACNR1MAPK1SMN1; SMN2HTT
SCHEMBL4171627 0.79 MAPK1 (0.51) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4170433 0.79 NTRK3 (0.49) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4182280 0.79 SMN1; SMN2 (0.51) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4166971 0.79 SMN1; SMN2 (0.61) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4171592 0.79 HTT (0.52) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4175122 0.79 MAPK1 (0.51) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL4181423 0.79 MAPK1 (0.48) RAB9ACNR1MAPK1SMN1; SMN2ALDH1A1

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