SCHEMBL8417469

SCHEMBL8417469

N#Cc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.65
KMT2A Q03164 5/20 0.60
MEN1 O00255 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
RXFP1 Q9HBX9 2/20 0.56
POLB P06746 1/20 0.56
F10 P00742 1/20 0.54
MLYCD O95822 1/20 0.54
NAMPT P43490 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
F2 P00734 1/20 0.53
PLG P00747 1/20 0.53
PLAU P00749 1/20 0.53
KLKB1 P03952 1/20 0.53

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
SCHEMBL28904178 0.89 RAB9A (0.65) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL3753090 0.89 HDAC1 (0.68) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL8623142 0.87 DHODH (0.68) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL28636436 0.85 RXFP1 (0.59) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL8714750 0.85 MLYCD (0.63) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL3190254 0.84 MEN1 (0.68) KMT2AMEN1NPC1RAB9ACYP11B1
SCHEMBL7110787 0.83 TSHR (0.68) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL28857391 0.83 RXFP1 (0.55) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL4968034 0.82 MMP1 (0.55) MMP1KMT2AMEN1NPC1RAB9A
SCHEMBL13210703 0.81 RAB9A (0.65) KMT2AMEN1NPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0937711-A1 Thiobenzamides, process for their preparation and medicaments containing them Roche Diagnostics GmbH (DE) 1999-08-25 EP disclosed