SCHEMBL19789815

SCHEMBL19789815

O=Cc1cccc2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)nc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
DHODH Q02127 3/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
PIK3CG P48736 2/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TNKS O95271 1/20 0.37
GUSB P08236 1/20 0.37
PARP1 P09874 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
ERN1 O75460 1/20 0.37
PIK3CA P42336 1/20 0.36
AR P10275 1/20 0.36
RAD51 Q06609 1/20 0.35
ACHE P22303 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
SCHEMBL10547575 0.78 MEN1 (0.61) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL10547979 0.78 MEN1 (0.56) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL10547343 0.76 MEN1 (0.54) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL8672719 0.76 MEN1 (0.58) MEN1KMT2ADHODHESR1ESR2
SCHEMBL13172436 0.76 MEN1 (0.58) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL12970468 0.75 MEN1 (0.53) MEN1KMT2ADHODHESR1ESR2
SCHEMBL13173702 0.75 MEN1 (0.53) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL8407200 0.75 ALDH1A1 (0.58) MEN1KMT2ADHODHESR2MAPT
SCHEMBL10548598 0.75 MEN1 (0.53) MEN1KMT2ADHODHPIK3CGMAPT
SCHEMBL28037618 0.74 KMT2A (0.71) MEN1KMT2ADHODHMAPTALDH1A1

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-2393787-B1 CADHERIN-11 INHIBITORS AND METHODS OF USE THEREOF UNIV GEORGETOWN (US) 2018-01-24 EP disclosed