SCHEMBL23625962

SCHEMBL23625962

c1ccc2c(c1)Oc1ccccc1N2c1cncnc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 13/20 0.39
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALOX5 P09917 1/20 0.34
ATM Q13315 1/20 0.34
P2RX1 P51575 2/20 0.32
P2RX3 P56373 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GRM5 P41594 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
SCHEMBL12620329 0.83 ATM (0.40) P2RX4MAPTSMN1; SMN2NPSR1ATM
SCHEMBL19317144 0.82 HTT (0.41) SMN1; SMN2NPSR1KDM4EALDH1A1
SCHEMBL17123066 0.81 HTT (0.50) MAPTALDH1A1
SCHEMBL17952807 0.80 CHRNB4 (0.38) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL6123819 0.79 P2RX4 (0.47) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL20277176 0.79 ATM (0.38) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL27967964 0.78 CDK8 (0.43) P2RX4SMN1; SMN2NPSR1ALOX5KDM4E
SCHEMBL19317168 0.78 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL23625971 0.78 P2RX4 (0.41) P2RX4MAPTSMN1; SMN2NPSR1ALOX5
SCHEMBL29379993 0.77 P2RX4 (0.47) P2RX4NPSR1ALOX5P2RX1P2RX3

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-2021135181-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC DEVICE 陕西莱特光电材料股份有限公司 2021-07-08 WO disclosed