SCHEMBL21101419

SCHEMBL21101419

CC(C)=Cc1c(C)n(C)c2nc3ccccc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
ATM Q13315 1/20 0.37
RAB9A P51151 7/20 0.37
ALDH1A1 P00352 6/20 0.37
MAPT P10636 5/20 0.37
KMT2A Q03164 4/20 0.37
TP53 P04637 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MEN1 O00255 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 6/20 0.37
ADORA1 P30542 1/20 0.37
GAA P10253 3/20 0.36
PKM P14618 3/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL25638911 0.81 KDM4E (0.43) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL26168128 0.78 SMN1; SMN2 (0.48) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL21913921 0.78 KDM4E (0.38) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL19233667 0.75 KDM4E (0.49) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL18083287 0.74 SMN1; SMN2 (0.55) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL26168133 0.73 KDM4E (0.51) KDM4ESMN1; SMN2RAB9AALDH1A1MAPT
SCHEMBL20124326 0.72 KDM4E (0.43) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL13317091 0.72 KDM4E (0.47) KDM4ESMN1; SMN2ALDH1A1MAPTTP53
SCHEMBL26168138 0.72 SMN1; SMN2 (0.42) KDM4ESMN1; SMN2ATMRAB9AALDH1A1
SCHEMBL12799837 0.71 ATM (0.53) KDM4ESMN1; SMN2ATMRAB9AALDH1A1

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-2993215-B1 Azabenzimidazo[2,1-a]benzimidazoles for electronic applications IDEMITSU KOSAN CO (JP) 2019-06-19 EP disclosed