SCHEMBL6772950

SCHEMBL6772950

Cc1nc(N)c2nc(C)n(CCCNC(=O)Nc3ccccc3)c2c1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.53
EPHX1 P07099 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 3/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42

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
SCHEMBL6776784 0.94 ALDH1A1 (0.48) FAAHEPHX1ALDH1A1HTTKDM4E
SCHEMBL6783335 0.89 CCR3 (0.46) FAAHHTTKDM4EMAPTLMNA
SCHEMBL6778478 0.88 HDAC3 (0.48) FAAHHTTKDM4EMAPTLMNA
SCHEMBL6779314 0.88 QPCT (0.45) FAAHALDH1A1MAPTLMNAPOLB
SCHEMBL6778012 0.87 CCR3 (0.45) FAAHALDH1A1HTTKDM4EMAPT
SCHEMBL6778719 0.87 KMT2A (0.48) ALDH1A1HTTMAPTLMNARAB9A
SCHEMBL6776742 0.86 CCR3 (0.48) RAB9ASMN1; SMN2CCR3
SCHEMBL6776452 0.86 TLR7 (0.46) FAAHEPHX1ALDH1A1HTTMAPT
SCHEMBL6777351 0.85 CA12 (0.41) FAAHALDH1A1HTTKDM4EMAPT
SCHEMBL6095386 0.85 TLR7 (0.50) FAAHEPHX1ALDH1A1HTT

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-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US claimed