SCHEMBL19981277

SCHEMBL19981277

Cc1cc(CNCc2nc(-c3cnccn3)no2)n(C)n1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.38
ADAMTS4 O75173 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.37
GAA P10253 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
PKM P14618 1/20 0.36
ATM Q13315 2/20 0.36
GRM5 P41594 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
SCHEMBL19984852 0.79 KDM4E (0.37) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL15504860 0.71 TDP1 (0.51) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19981162 0.71 POLB (0.56) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL11798568 0.70 TDP1 (0.58) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL12612104 0.67 TDP1 (0.54) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19981321 0.66 KDM4E (0.52) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL9965991 0.65 NPC1 (0.54) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19981338 0.64 POLB (0.40) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19981343 0.64 KDM4E (0.52) TDP1KDM4EPOLBL3MBTL1ALDH1A1
SCHEMBL19981268 0.63 POLB (0.43) TDP1KDM4EPOLBL3MBTL1ALDH1A1

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
WO-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed