SCHEMBL10697210

SCHEMBL10697210

CN1C(=O)Cc2cc3nc(-c4ccccn4)n(C)c3cc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
TRIM24 O15164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DHFR P00374 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
METAP1 P53582 2/20 0.37
METAP2 P50579 1/20 0.36
KDM4E B2RXH2 3/20 0.36
ALOX5AP P20292 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL10696205 0.95 CA12 (0.51) CA12CA9NPC1RAB9ATRIM24
SCHEMBL10699129 0.87 NPC1 (0.48) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL10699776 0.83 CA12 (0.44) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL10701670 0.82 NPC1 (0.48) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL10698199 0.81 CA12 (0.46) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL10695099 0.80 MEN1 (0.48) CA12CA9TRIM24DHFRMEN1
SCHEMBL10694299 0.78 CYP11B1 (0.54) TRIM24CYP19A1
SCHEMBL10691731 0.76 TRIM24 (0.44) CA12CA9NPC1RAB9ATRIM24
SCHEMBL10696700 0.76 CA12 (0.50) CA12CA9NPC1RAB9AL3MBTL1
SCHEMBL10695565 0.76 CBFB (0.55) NPC1RAB9AL3MBTL1KMT2AMETAP1

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-0268178-A1 Pyrrolo-benzimidazoles, medicaments containing these compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1988-05-25 EP disclosed