SCHEMBL6779679

SCHEMBL6779679

Cc1nc(N)c2nc(C)n(CCNC(=O)Cc3cccs3)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 7/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR2 Q92731 1/20 0.41
ESR1 P03372 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA5B Q9Y2D0 1/20 0.40

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
SCHEMBL6773902 0.94 ALDH1A1 (0.44) HPGDALOX15HSD17B10KDM4EALDH1A1
SCHEMBL6773093 0.84 KMT2A (0.51) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6779320 0.81 ALDH1A1 (0.46) HPGDALOX15HSD17B10KDM4EALDH1A1
SCHEMBL6773389 0.79 HPGD (0.43) HPGDALOX15HSD17B10KDM4EALDH1A1
SCHEMBL6778680 0.78 HPGD (0.43) HPGDKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6774292 0.78 ALDH1A1 (0.47) HPGDHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL6774657 0.77 MAPT (0.49) HPGDKDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL6110335 0.77 KDM4E (0.39) HPGDKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6110768 0.76 KDM4E (0.38) HPGDKDM4EALDH1A1
SCHEMBL6784702 0.76 CYP2C9 (0.46) ALDH1A1TSHRPOLBMEN1KMT2A

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