SCHEMBL20041454

SCHEMBL20041454

C=C1Oc2ccc(C)cc2N1c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 2/20 0.38
USP2 O75604 2/20 0.38
HTT P42858 1/20 0.38
P2RX4 Q99571 1/20 0.33
MAOB P27338 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
ADRA2C P18825 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.30
KEAP1 Q14145 1/20 0.30

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
SCHEMBL20041397 0.88 P2RX4 (0.36) GAAMEN1KMT2AKDM4ETP53
SCHEMBL20041457 0.73 GAA (0.40) GAAMEN1KMT2AKDM4ETP53
SCHEMBL16922779 0.72 GAA (0.39) GAAMEN1KMT2AKDM4ETP53
SCHEMBL20041447 0.71 KMT2A (0.38) GAAMEN1KMT2AKDM4ETP53
SCHEMBL15489943 0.70 P2RX4 (0.44) GAAKMT2AP2RX4MAPTSMN1; SMN2
SCHEMBL12433669 0.69 ALDH1A1 (0.39) GAAKDM4ETP53HTTP2RX4
SCHEMBL11978697 0.69 P2RX4 (0.43) GAAKMT2AKDM4ETP53HTT
SCHEMBL21765588 0.68 GAA (0.45) GAAMEN1KMT2AKDM4ETP53
SCHEMBL11414159 0.67 TDP1 (0.48) GAAMEN1KMT2AKDM4ETP53
SCHEMBL12841614 0.66 KDM4E (0.47) GAAMEN1KMT2AKDM4EP2RX4

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