SCHEMBL20041673

SCHEMBL20041673

NN1c2ccccc2Oc2ccc(-c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.38
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MAOA P21397 1/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
HTT P42858 1/20 0.34
PTGS2 P35354 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
SCHEMBL18294278 0.84 GAA (0.39) CA12CA9GAAKDM4EMEN1
SCHEMBL10586348 0.81 P2RX4 (0.48) P2RX4MAOAMAPTALOX5
SCHEMBL16810785 0.79 KDM4E (0.45) P2RX4CA12CA9GAAKDM4E
SCHEMBL16810643 0.77 CA12 (0.40) CA12CA9GAAKDM4EMEN1
SCHEMBL18542354 0.77 CA12 (0.40) CA12CA9GAAKDM4EMEN1
SCHEMBL13623242 0.76 P2RX4 (0.38) P2RX4CA12CA9GAAKDM4E
SCHEMBL18542386 0.75 FAAH (0.41) CA12CA9GAAKDM4EMEN1
SCHEMBL20851327 0.73 P2RX4 (0.33) P2RX4CA12CA9GAAKDM4E
SCHEMBL16810784 0.72 KDM4E (0.45) P2RX4GAAKDM4EL3MBTL1ALDH1A1
SCHEMBL23919888 0.72 CA12 (0.35) P2RX4CA12CA9GAAKDM4E

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