SCHEMBL20041397

SCHEMBL20041397

C=C1Oc2ccccc2N1c1cc(C)ccc1N

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 3/20 0.36
TP53 P04637 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 1/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 3/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20041454 0.88 GAA (0.38) P2RX4TP53TDP1CYP3A4THRB
SCHEMBL15489943 0.70 P2RX4 (0.44) P2RX4SMN1; SMN2GAAKMT2AMAPT
SCHEMBL11978697 0.69 P2RX4 (0.43) P2RX4TP53SMN1; SMN2KDM4EGAA
SCHEMBL13023294 0.68 P2RX4 (0.45) P2RX4TDP1SMN1; SMN2HTTMAPT
SCHEMBL21765588 0.68 GAA (0.45) P2RX4TP53CYP3A4ALOX15SMN1; SMN2
SCHEMBL20022151 0.67 P2RX4 (0.44) P2RX4SMN1; SMN2MAPTALDH1A1
SCHEMBL13752329 0.67 P2RX4 (0.44) P2RX4SMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL20041457 0.67 GAA (0.40) TP53TDP1CYP3A4KDM4EGAA
SCHEMBL12841614 0.66 KDM4E (0.47) P2RX4TDP1ALOX15SMN1; SMN2KDM4E
SCHEMBL13203012 0.66 P2RX4 (0.43) P2RX4SMN1; SMN2KDM4EMAPTALDH1A1

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-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed