SCHEMBL15225939

SCHEMBL15225939

COc1c(O)ccc(C=O)c1-c1cc(-c2ccco2)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 9/20 0.53
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
MAPT P10636 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
PRKDC P78527 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 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
SCHEMBL1306500 0.86 ERN1 (0.47) ERN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL4041509 0.84 ERN1 (0.56) ERN1CA1CA2TUBB4ATUBB
SCHEMBL4036525 0.77 ERN1 (0.55) ERN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL15226080 0.71 ERN1 (0.52) ERN1MAPTKDM4EALDH1A1CYP3A4
SCHEMBL4040519 0.71 ERN1 (0.47) ERN1MAPTKDM4EALDH1A1HSD17B10
SCHEMBL12767808 0.70 ERN1 (1.00) ERN1
SCHEMBL12767867 0.70 ERN1 (1.00) ERN1
SCHEMBL15009764 0.70 ERN1 (0.77) ERN1PRKDC
SCHEMBL19475454 0.69 ERN1 (0.50) ERN1MAPTALDH1A1POLBTUBB4A
SCHEMBL4043040 0.69 ERN1 (0.49) ERN1MAPTKDM4EALDH1A1CYP3A4

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