SCHEMBL4706772

SCHEMBL4706772

CCOC(=O)Oc1cc2ccc(C)cc2n1CC#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 3/20 0.38
HSD17B10 Q99714 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
HBB P68871 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NOD2 Q9HC29 3/20 0.36
NOD1 Q9Y239 3/20 0.36
CCR9 P51686 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4707774 0.81 ALDH1A1 (0.38) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL5621752 0.80 NOD2 (0.53) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4707041 0.79 LMNA (0.37) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4708671 0.77 TDP1 (0.44) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4707301 0.76 TDP1 (0.43) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4705529 0.76 MTNR1A (0.43) ALDH1A1KDM4ERXFP1MAPTSMN1; SMN2
SCHEMBL9203790 0.69 MAPT (0.40) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL4705478 0.69 KDM4E (0.36) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL17368516 0.69 NOD2 (0.52) MEN1KMT2AALDH1A1KDM4ERXFP1
SCHEMBL1983207 0.69 MEN1 (0.49) MEN1KMT2AALDH1A1KDM4ERXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1625129-B1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2008-03-05 EP disclosed
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed