SCHEMBL8950880

SCHEMBL8950880

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.61
KMT2A Q03164 6/20 0.61
MAPT P10636 3/20 0.61
LMNA P02545 2/20 0.61
HTT P42858 2/20 0.61
ALDH1A1 P00352 2/20 0.61
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX7 Q99572 1/20 0.49
FADS1 O60427 1/20 0.49
RECQL P46063 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM4 Q14833 1/20 0.49

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
SCHEMBL8950776 0.85 MEN1 (0.62) MEN1KMT2AMAPTLMNAHTT
SCHEMBL9169028 0.83 MEN1 (0.61) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8950913 0.79 MEN1 (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8950841 0.79 NPC1 (0.52) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8950786 0.76 MAPT (0.59) MEN1KMT2AMAPTLMNAHTT
SCHEMBL2682054 0.76 KMT2A (1.00) MEN1KMT2AMAPTLMNAHTT
SCHEMBL15442327 0.76 KMT2A (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL15442326 0.76 KMT2A (0.51) MEN1KMT2AMAPTLMNAHTT
SCHEMBL8950879 0.75 KMT2A (0.65) MEN1KMT2AMAPTLMNAHTT
SCHEMBL11066912 0.74 MEN1 (0.74) MEN1KMT2AMAPTLMNAHTT

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