SCHEMBL6773535

SCHEMBL6773535

Cc1nc(N)c2ncn(CCCCNC(=O)C3CCCC3)c2c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
CYP2C19 P33261 1/20 0.39
DRD2 P14416 2/20 0.38
DRD3 P35462 2/20 0.38
NAMPT P43490 1/20 0.38
ADRA1A P35348 1/20 0.38
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
THRB P10828 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
SCHEMBL6778549 0.96 KDM4E (0.38) TSHRHSD17B10KDM4ESMN1; SMN2ALDH1A1
SCHEMBL6777814 0.86 EPHX1 (0.44)
SCHEMBL6098139 0.85 DYRK1A (0.37) KDM4EALDH1A1MTNR1AMTNR1B
SCHEMBL6784160 0.82 EPHX1 (0.38) MEN1KMT2AADRA1AALDH1A1POLB
SCHEMBL6773196 0.82 ALDH1A1 (0.39) KMT2AALDH1A1
SCHEMBL5778320 0.81 TLR7 (0.49) TSHRHSD17B10DRD2DRD3NAMPT
SCHEMBL5748511 0.81 TLR7 (0.48) TSHRHSD17B10DRD2DRD3NAMPT
SCHEMBL6775246 0.80 HDAC1 (0.41) KMT2AALDH1A1
SCHEMBL6775784 0.80 DRD2 (0.37) DRD2DRD3SMN1; SMN2ALDH1A1POLB
SCHEMBL6768483 0.80 DRD3 (0.44) NAAAMEN1KMT2ACYP1A2CYP3A4

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