SCHEMBL21101524

SCHEMBL21101524

C1=Cc2[nH]c3ccccc3[nH]cnc2CC1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PRNP P04156 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
APOBEC3G Q9HC16 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
SCHEMBL635227 0.77
SCHEMBL23652265 0.70 ALDH1A1 (0.36) KDM4EALDH1A1HPGDNPSR1APOBEC3G
SCHEMBL2307927 0.65 HTR2A (0.43) ADRA1AKDM4EALDH1A1HPGD
SCHEMBL8559806 0.65
SCHEMBL6688805 0.65 GAA (0.40) KDM4EALDH1A1HPGDRXFP1
SCHEMBL19503206 0.63 KDM4E (0.48) KDM4EALDH1A1HPGDNPSR1APOBEC3G
SCHEMBL7052456 0.62
SCHEMBL23863497 0.61 GABRP (0.42) KDM4EALDH1A1HPGD
SCHEMBL2208048 0.60
SCHEMBL13050461 0.60 TYMS (0.32)

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