SCHEMBL9169028

SCHEMBL9169028

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 2/20 0.61
HTT P42858 2/20 0.61
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
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
POLB P06746 1/20 0.49
P2RX1 P51575 1/20 0.49
P2RX4 Q99571 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) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL8950880 0.83 MEN1 (0.61) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9163782 0.80 GFER (0.66) MEN1KMT2ARAB9ANPC1GAA
SCHEMBL8950913 0.79 MEN1 (0.65) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9168977 0.79 NPC1 (0.52) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9164150 0.78 EPHX2 (0.52) MEN1KMT2AMAPTRAB9ANPC1
SCHEMBL23447836 0.77 MEN1 (0.71) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL9167753 0.76 MAPT (0.59) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL2682054 0.76 KMT2A (1.00) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL15442327 0.76 KMT2A (0.51) MEN1KMT2AALDH1A1LMNAMAPT

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-0519427-B1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-04-26 EP disclosed
EP-0552418-A1 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-07-28 EP disclosed
EP-0519427-A2 N-substituted-3-iodopropiolamide, production and use thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-23 EP disclosed