SCHEMBL6773389

SCHEMBL6773389

Cc1nc(N)c2ncn(CCCCNC(=O)Cc3cccs3)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.41
BRD4 O60885 7/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL6773010 0.85 ALDH1A1 (0.43) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL3864050 0.85 TLR7 (0.46) HPGDALOX15HSD17B10ALDH1A1TSHR
SCHEMBL6773902 0.81 ALDH1A1 (0.44) HPGDALOX15HSD17B10ALDH1A1TSHR
SCHEMBL6098139 0.80 DYRK1A (0.37) ALDH1A1KDM4E
SCHEMBL6775246 0.80 HDAC1 (0.41) ALDH1A1KMT2A
SCHEMBL6774160 0.80 HPGD (0.47) HPGDTSHRKDM4EMEN1KMT2A
SCHEMBL6779679 0.79 HPGD (0.46) HPGDALOX15HSD17B10ALDH1A1TSHR
SCHEMBL6768483 0.79 DRD3 (0.44) ALDH1A1SMN1; SMN2POLBMEN1KMT2A
SCHEMBL6779047 0.78 CYP2C9 (0.43) ALDH1A1TSHRPOLBMEN1KMT2A
SCHEMBL6773196 0.78 ALDH1A1 (0.39) ALDH1A1KMT2A

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