SCHEMBL13866816

SCHEMBL13866816

Cn1c(=O)n(C)c2c(Cl)nc(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
JAK2 O60674 1/20 0.43
LMNA P02545 1/20 0.43
PAX8 Q06710 1/20 0.43
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 1/20 0.41
RECQL P46063 1/20 0.41
KMT2A Q03164 3/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MAOB P27338 3/20 0.38
ADORA2A P29274 3/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
MAOA P21397 1/20 0.37
ADORA2B P29275 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL13866814 0.78 CYP2C19 (0.38) HTTHPGDALDH1A1KDM4EJAK2
SCHEMBL13866872 0.71 DPP4 (0.46) HTTHPGDALDH1A1CYP2C19CYP1A2
SCHEMBL17962160 0.71 ADORA2B (0.46) HTTHPGDALDH1A1KDM4EJAK2
SCHEMBL2496142 0.68 CYP2C19 (0.61) HTTALDH1A1CYP2C19CYP1A2RECQL
SCHEMBL23620552 0.65 HPGD (0.56) HTTHPGDALDH1A1KDM4EJAK2
SCHEMBL13875830 0.65 CHRNB2 (0.49) ALDH1A1KDM4ELMNACYP2C19KMT2A
SCHEMBL27887211 0.65 CYP2C19 (0.58) HTTALDH1A1CYP2C19CYP1A2RECQL
SCHEMBL24401861 0.65 HSD17B10 (0.43) HTTHPGDALDH1A1KDM4EJAK2
SCHEMBL13866817 0.65 LMNA (0.39) HPGDALDH1A1KDM4ELMNAKMT2A
SCHEMBL25678468 0.65 KDM4E (0.46) HTTHPGDALDH1A1KDM4EJAK2

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
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed