SCHEMBL6779684

SCHEMBL6779684

COc1cccc(C(=O)NCCCn2c(C)nc3c(N)nc(C)c(C)c32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 2/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 8/20 0.47
DRD4 P21917 8/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NAMPT P43490 1/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 1/20 0.43
HPGD P15428 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
SCHEMBL6773842 0.94 SMN1; SMN2 (0.50) MCHR1MEN1KMT2ATDP1MAPT
SCHEMBL6768544 0.89 NPC1 (0.49) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6773863 0.88 GAA (0.47) MCHR1MEN1KMT2ATDP1MAPT
SCHEMBL6773077 0.86 MCHR1 (0.49) MCHR1GAANAMPT
SCHEMBL6779944 0.86 HDAC3 (0.48) DRD2SIGMAR1
SCHEMBL6778719 0.86 KMT2A (0.48) KMT2AMAPTNPC1HTTRAB9A
SCHEMBL6773386 0.85 TP53BP1 (0.49) MEN1KMT2AMAPTGAADRD2
SCHEMBL6771355 0.83 POLB (0.47) MEN1KMT2AMAPTSMN1; SMN2NPC1
SCHEMBL6772103 0.82 MCHR1 (0.51) MCHR1MEN1KMT2ATDP1MAPT
SCHEMBL6774104 0.81 POLB (0.44) MEN1KMT2AGAANPC1TP53

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
US-6720333-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; N-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)BENZAMIDE 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed