SCHEMBL6773229

SCHEMBL6773229

Cc1nc(N)c2nc(C)n(CCNC(=S)NC34CC5CC(CC(C5)C3)C4)c2c1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.46
ALDH1A1 P00352 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CNR2 P34972 1/20 0.34
EPHX1 P07099 1/20 0.34
CNR1 P21554 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL6769678 0.83 POLB (0.42) ALDH1A1HTTPOLB
SCHEMBL6110335 0.77 KDM4E (0.39) ALDH1A1GAACNR2CNR1
SCHEMBL6773855 0.76 KDM4E (0.43) ALDH1A1SMN1; SMN2HTTLMNA
SCHEMBL6774577 0.76 TSHR (0.44) ALDH1A1SMN1; SMN2LMNAPOLB
Hydrochloric Acid SCHEMBL6110768 0.76 KDM4E (0.38) ALDH1A1GAACNR2CNR1
SCHEMBL6779590 0.75 MAPKAPK2 (0.43) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL6776398 0.74 KDM4E (0.36) ALDH1A1SMN1; SMN2HTTLMNAGAA
SCHEMBL6782569 0.74 SMN1; SMN2 (0.44) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL6777928 0.74 MEN1 (0.47) ALDH1A1SMN1; SMN2LMNAMAPTPOLB
SCHEMBL6283619 0.74 TLR7 (0.32) ALDH1A1GAA

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