SCHEMBL6672879

SCHEMBL6672879

COc1ccc(CN2CNC(=O)c3[nH]c(C(C)(C)OCc4ccc(F)cc4)nc32)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ L3MBTL1 Q9Y468 3/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.35
▸ PDE4B Q07343 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.34
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1G2 P78368 1/20 0.34
▸ POLB P06746 3/20 0.34
▸ GAA P10253 2/20 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
SCHEMBL6674804 0.92 ALDH1A1 (0.39) ALDH1A1KMT2AKDM4EMEN1SIGMAR1
SCHEMBL6674253 0.92 PDE4B (0.42) PDE4B
SCHEMBL6677675 0.89 MAPT (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1HPGD
SCHEMBL6673331 0.88 MAPK1 (0.45) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL7740521 0.85 PDE4A (0.47) PDE4B
SCHEMBL6672643 0.85 PDE4B (0.46) PDE4B
SCHEMBL6674748 0.85 PDE4A (0.44) PDE4B
SCHEMBL6673639 0.76 PDE4B (0.56) PDE4B
SCHEMBL6677649 0.76 SIGMAR1 (0.43) ALDH1A1KMT2ASMN1; SMN2KDM4EMEN1
SCHEMBL6672884 0.73 PDE4A (0.47) PDE4B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1202628-B1 NOVEL HYPOXANTHINE AND THIOHYPOXANTHINE COMPOUNDS EURO CELTIQUE SA (LU) 2004-10-13 — — EP disclosed
US-6413975-B1 DISEASES WITH HIGH LEVELS OF INFLAMMATORY CYTOKINES; ASTHMA; ALLERGIES; INFLAMMATION; DEPRESSION; ALZHEIMER'S DISEASE; VASCULAR AND MULTI-IN-FARCT DEMENTIA EURO-CELTIQUE, S.A. (LU) 2002-07-02 — — US disclosed
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