SCHEMBL21101337

SCHEMBL21101337

c1ccc2c(c1)[nH]c1nc3ccncc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 6/20 0.39
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
PDE2A O00408 2/20 0.39
PDE10A Q9Y233 2/20 0.39
PDE4D Q08499 1/20 0.39
PDE11A Q9HCR9 1/20 0.39
AURKA O14965 2/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
ACHE P22303 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38

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
SCHEMBL17570863 0.88 ATM (0.41) KDM4EALDH1A1HPGDSMN1; SMN2PDE10A
SCHEMBL17570856 0.88 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL17570857 0.84 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL1698065 0.83 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2AURKA
Carbazole SCHEMBL16433320 0.76 ALDH1A1 (0.47) KDM4EALDH1A1HPGDSMN1; SMN2AURKA
SCHEMBL21346496 0.76 CDC25B (0.43) KDM4EALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL21415948 0.75 KDM4E (0.42) KDM4EALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL23504054 0.74 KDM4E (0.42) KDM4EALDH1A1HPGDPDE2APDE10A
SCHEMBL18463241 0.74 AURKA (0.48) KDM4EALDH1A1HPGDSMN1; SMN2PDE2A
SCHEMBL15631599 0.72 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2PDE2A

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