SCHEMBL6772889

SCHEMBL6772889

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HDAC3 O15379 2/20 0.41
HDAC1 Q13547 2/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.40
DRD3 P35462 2/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
MYOF Q9NZM1 1/20 0.39
DRD4 P21917 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
NAMPT P43490 1/20 0.38
IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL6771963 0.91 MAPT (0.46) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6772832 0.91 TP53 (0.47) HPGDMEN1KMT2AHDAC3HDAC1
SCHEMBL6779395 0.91 TLR7 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1MEN1
SCHEMBL6772805 0.90 TRPV1 (0.44) SMN1; SMN2HPGDNPC1RAB9AALDH1A1
SCHEMBL6768615 0.89 TLR7 (0.39) HDAC3HDAC1MAPTNAMPT
SCHEMBL6778818 0.89 HDAC3 (0.47) MEN1KMT2AHDAC3HDAC1MAPT
SCHEMBL6774328 0.86 BRD4 (0.41) SMN1; SMN2NPC1RAB9AMEN1KMT2A
SCHEMBL6774215 0.85 TLR8 (0.54) SMN1; SMN2RAB9AMEN1KMT2AHDAC3
SCHEMBL6779782 0.85 QPCT (0.46) SMN1; SMN2HPGDALDH1A1KMT2AMAPT
SCHEMBL6096076 0.85 TLR7 (0.45) SMN1; SMN2RAB9AGAA

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