SCHEMBL21834591

SCHEMBL21834591

O=C(c1ccccn1)c1ncnc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.51
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NAPRT Q6XQN6 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
ALDH1A1 P00352 2/20 0.46
KDM5A P29375 1/20 0.46
HSD17B14 Q9BPX1 1/20 0.44
ADORA2A P29274 2/20 0.43
MEN1 O00255 1/20 0.43
GSK3B P49841 1/20 0.42
ADORA1 P30542 1/20 0.42
PI4KA P42356 1/20 0.42
PI4K2B Q8TCG2 1/20 0.42
PI4K2A Q9BTU6 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
PDE4A P27815 1/20 0.42

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
SCHEMBL2833079 0.77 SMN1; SMN2 (0.52) KMT2AKDM4ELMNAALDH1A1ADORA2A
SCHEMBL30902246 0.77 SMN1; SMN2 (0.52) KMT2AKDM4ELMNAALDH1A1ADORA2A
SCHEMBL13475580 0.77 CNR2 (0.55) KMT2AKDM4ECES2CES1LMNA
SCHEMBL10964846 0.77 KMT2A (0.51) KMT2AKDM4ECES2CES1LMNA
SCHEMBL31369148 0.75 KMT2A (0.75) KMT2AKDM4ECES2CES1LMNA
SCHEMBL87791 0.75 KMT2A (0.75) KMT2AKDM4ECES2CES1LMNA
SCHEMBL17099640 0.75 PI4KA (0.52) KMT2AKDM4ELMNAALDH1A1ADORA2A
Lithium Ion SCHEMBL21818896 0.75 PI4KA (0.47) KMT2AKDM4ELMNAALDH1A1ADORA2A
SCHEMBL31385237 0.75 PI4KA (0.52) KMT2AKDM4ELMNAALDH1A1ADORA2A
Charcoal, Activated SCHEMBL8358164 0.73 KMT2A (0.72) KMT2AKDM4ECES2CES1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3856178-A1 MONOACYLGLYCEROL LIPASE MODULATORS Janssen Pharmaceutica NV (BE) 2021-08-04 EP disclosed
WO-2020065613-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed