SCHEMBL6863801

SCHEMBL6863801

NC(=O)c1[c]oc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
GLA P06280 2/20 0.39
HSD17B10 Q99714 4/20 0.36
TP53 P04637 2/20 0.36
MAPK10 P53779 2/20 0.36
KDM4E B2RXH2 4/20 0.36
USP2 O75604 1/20 0.36
CSNK2A2 P19784 1/20 0.36
PTGS1 P23219 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
TEAD1 P28347 1/20 0.36
YAP1 P46937 1/20 0.36
TEAD4 Q15561 1/20 0.36
TEAD2 Q15562 1/20 0.36
MAPT P10636 4/20 0.35
TSHR P16473 3/20 0.35
CYP3A4 P08684 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL20562769 0.82 KDM4E (0.41) ALDH1A1GLAHSD17B10KDM4EUSP2
SCHEMBL638083 0.81 CA12 (0.41) ALDH1A1KDM4EMAPTTSHRPOLB
SCHEMBL1852476 0.77 EGFR (0.36) ALDH1A1HSD17B10TP53KDM4EMAPT
SCHEMBL11634089 0.74 MAOB (0.49) ALDH1A1GLAHSD17B10TP53KDM4E
SCHEMBL1002037 0.69 CA12 (0.36) ALDH1A1GLAHSD17B10TP53KDM4E
SCHEMBL8304401 0.69 KDM4E (0.38) ALDH1A1GLAHSD17B10KDM4EMAPT
SCHEMBL6307222 0.67 ALDH1A1 (0.48) ALDH1A1GLAHSD17B10TP53MAPK10
SCHEMBL3235744 0.64 AHR (0.38) ALDH1A1GLAHSD17B10TP53KDM4E
SCHEMBL221025 0.64 CYP1A2 (0.36) ALDH1A1GLAHSD17B10KDM4EUSP2
SCHEMBL18575031 0.64 MAOA (0.34) ALDH1A1GLAHSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1149094-B1 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2004-04-21 EP disclosed
US-6376491-B1 BENZOFURAN DERIVATIVES FOR TREATMENT OR PREVENTION OF MYCOSIS IN MAMMALS BASILEA PHARMACEUTICA AG (CH) 2002-04-23 US disclosed
EP-1149094-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS Basilea Pharmaceutica AG (CH) 2001-10-31 EP disclosed
WO-2000037464-A2 4-(AMINOALKOXY)BENZOFURANS AS N-MYRISTOYLTRANSFERASE INHIBITORS BASILEA PHARMACEUTICA AG (CH) 2000-06-29 WO disclosed