SCHEMBL15225933

SCHEMBL15225933

COc1cc(C=O)c(-c2cc(-c3cncnc3)ccc2N)c(OC)c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 6/20 0.45
FYN P06241 7/20 0.37
TGFBR1 P36897 2/20 0.37
EGFR P00533 1/20 0.36
KDR P35968 1/20 0.36
RELA Q04206 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 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
SCHEMBL15226095 0.87 ERN1 (0.46) ERN1FYNRELAALDH1A1CYP3A4
SCHEMBL15225924 0.85 TUBB1 (0.46) ERN1FYNRELAALDH1A1CYP3A4
SCHEMBL15226008 0.83 IMPDH2 (0.43) FYNRELA
SCHEMBL15225783 0.82 ERN1 (0.49) ERN1RELAALDH1A1CYP3A4TSHR
SCHEMBL15225913 0.79 ERN1 (0.50) ERN1FYNRELAALDH1A1HSD17B10
SCHEMBL4038676 0.79 ALDH1A1 (0.48) RELAALDH1A1HSD17B10TUBB4ATUBB
SCHEMBL4034103 0.78 SMPD3 (0.40) ERN1FYNRELATSHRTUBB4A
SCHEMBL4038023 0.78 HDAC8 (0.38) ERN1FYNRELA
SCHEMBL4034204 0.78 TUBB4A (0.38) ERN1FYNRELATUBB4ATUBB
SCHEMBL15225910 0.78 ERN1 (0.49) ERN1TUBB4ATUBBTUBA3CTUBA1B

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
EP-2066632-B1 BENZOPHENONE DERIVATIVES USEFUL FOR INHIBITING FORMATION OF MICROTUBULE CHONG KUN DANG PHARM CORP (KR) 2013-09-04 EP disclosed