SCHEMBL6530972

SCHEMBL6530972

COc1ccccc1CNc1nc2cc(OC(=O)O)ccc2n1C1CCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 4/20 0.43
PDE9A O76083 2/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
OPRL1 P41146 1/20 0.42
OGFRL1 Q5TC84 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ITK Q08881 1/20 0.41
POLB P06746 3/20 0.41
MAPT P10636 2/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL6528295 0.93 LMNA (0.44) LMNAMEN1KMT2ATP53PDE9A
SCHEMBL6530969 0.89 OGFRL1 (0.44) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL6530970 0.88 L3MBTL1 (0.55) LMNAMEN1KMT2ATP53PDE9A
SCHEMBL6528420 0.86 OGFRL1 (0.47) OPRM1OPRD1OPRK1OPRL1OGFRL1
SCHEMBL6532558 0.84 L3MBTL1 (0.41) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL6528391 0.83 OPRM1 (0.41) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL6528752 0.83 L3MBTL1 (0.42) LMNAOPRM1OPRD1OPRK1OPRL1
SCHEMBL6532520 0.82 ALDH1A1 (0.47) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL6530899 0.81 OPRM1 (0.43) TP53OPRM1OPRD1OPRK1OPRL1
SCHEMBL6530894 0.81 OGFRL1 (0.46) OPRM1OPRD1OPRK1OPRL1OGFRL1

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