SCHEMBL6530970

SCHEMBL6530970

COc1ccccc1CNc1nc2cc(C(=O)O)ccc2n1C1CCCCCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
IDH1 O75874 2/20 0.49
TP53 P04637 2/20 0.48
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE9A O76083 1/20 0.44
ITK Q08881 1/20 0.44
HDAC6 Q9UBN7 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
OPRL1 P41146 1/20 0.44
OGFRL1 Q5TC84 1/20 0.44
KIF11 P52732 2/20 0.43
HDAC3 O15379 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL6530967 0.88 L3MBTL1 (0.61) L3MBTL1IDH1TP53LMNAHDAC6
SCHEMBL6530972 0.88 LMNA (0.44) TP53LMNAMEN1KMT2APDE9A
SCHEMBL6528295 0.86 LMNA (0.44) TP53LMNAMEN1KMT2APDE9A
SCHEMBL6528422 0.85 L3MBTL1 (0.60) L3MBTL1IDH1TP53LMNAHDAC6
SCHEMBL6532555 0.83 L3MBTL1 (0.57) L3MBTL1IDH1TP53HDAC6OPRM1
SCHEMBL6528750 0.81 L3MBTL1 (0.60) L3MBTL1IDH1TP53LMNAHDAC6
SCHEMBL6530018 0.80 L3MBTL1 (0.55) L3MBTL1IDH1HDAC6OPRM1OPRD1
SCHEMBL6532516 0.80 L3MBTL1 (0.55) L3MBTL1HDAC6OPRM1OPRD1OPRK1
SCHEMBL6530897 0.80 L3MBTL1 (0.60) L3MBTL1IDH1TP53HDAC6OPRM1
SCHEMBL6530892 0.79 L3MBTL1 (0.58) L3MBTL1IDH1TP53LMNAHDAC6

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
WO-2005019186-A1 2-AMINOBENZIMIDAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF HIV/AIDS BAYER HEALTHCARE AG (DE) 2005-03-03 WO disclosed