SCHEMBL18175984

SCHEMBL18175984

CC(C)(C)CNC(=O)c1cccc(N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RAB9A P51151 1/20 0.48
PTGS1 P23219 2/20 0.48
HSD17B10 Q99714 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM4C Q9H3R0 1/20 0.47
GAA P10253 1/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
PBRM1 Q86U86 1/20 0.46
PRSS1 P07477 1/20 0.45
CTSG P08311 1/20 0.45
CTRB1 P17538 1/20 0.45
CMA1 P23946 1/20 0.45
NAMPT P43490 1/20 0.45
ADRB2 P07550 1/20 0.45

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
SCHEMBL17032313 0.83 CNR2 (0.48) ALDH1A1KMT2AMEN1RAB9AHSD17B10
SCHEMBL21020967 0.82 HDAC8 (0.59) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL3655101 0.82 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL5906529 0.81 KDM4E (0.62) KDM4EALDH1A1KMT2AMEN1PTGS1
SCHEMBL29944886 0.81 KDM4E (0.62) KDM4EALDH1A1KMT2AMEN1PTGS1
SCHEMBL10630944 0.81 ALDH1A1 (0.57) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL29836705 0.81 L3MBTL1 (0.67) KDM4EALDH1A1KMT2AMEN1RAB9A
SCHEMBL20206540 0.81 ACHE (0.55) ALDH1A1KMT2AMEN1RAB9AHSD17B10
SCHEMBL12852621 0.79 NAMPT (0.47) KMT2AMEN1RAB9AHSD17B10SMN1; SMN2
SCHEMBL6160025 0.79 MAPK1 (0.60) KDM4EALDH1A1KMT2AMEN1PTGS1

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-2417120-B1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2016-10-26 EP disclosed