SCHEMBL7656841

SCHEMBL7656841

COc1cc(OC)c(NC(=O)NC2=CC[CH]C=C2)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
MEN1 O00255 3/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 3/20 0.52
CHRNA7 P36544 1/20 0.51
CHEK1 O14757 2/20 0.50
KDM4E B2RXH2 2/20 0.47
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SHMT2 P34897 1/20 0.45
TSHR P16473 1/20 0.44

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
SCHEMBL6814042 0.85 ALDH1A1 (0.56) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7653857 0.76 ALDH1A1 (0.52) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL4324973 0.71 KDM4E (0.68) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL7162115 0.71 ALDH1A1 (0.39) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL27582567 0.71 KMT2A (0.60) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL18025321 0.70 MAPT (0.76) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL4555009 0.70 MAPT (0.76) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL26816572 0.70 ALDH1A1 (0.61) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL8118521 0.70 ALDH1A1 (0.65) KMT2AMEN1MAPTALDH1A1CHRNA7
SCHEMBL6816388 0.69 MAPT (0.74) KMT2AMEN1MAPTALDH1A1CHRNA7

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
US-6407249-B1 COMPOUNDS CONTAINING FURAN RING STRUCTURE AMERICAN HOME PRODUCTS CORPORATION 2002-06-18 US disclosed
US-6207715-B1 USEFUL IN THERAPY OF DISEASES ASSOCIATED WITH HERPES VIRUSES INCLUDING HUMAN CYTOMEGALOVIRUS, HERPES SIMPLEX VIRUSES, EPSTEIN-BARR VIRUS, VARICELLA-ZOSTER VIRUS, HUMAN HERPESVIRUSES-6 AND -7, AND KAPOSI HERPES VIRUS AMERICAN HOME PRODUCTS CORPORATION 2001-03-27 US disclosed