SCHEMBL5328634

SCHEMBL5328634

O=c1c2ccc(NCCO)cc2n(CCOCc2ccccc2)c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.42
MAPK9 P45984 1/20 0.42
HDAC6 Q9UBN7 1/20 0.39
THRB P10828 1/20 0.39
PGR P06401 2/20 0.39
GRM5 P41594 1/20 0.38
RXFP1 Q9HBX9 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
TP53 P04637 2/20 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
SCHEMBL5326569 0.87 MAPK8 (0.53) MAPK8MAPK9HDAC6THRBPGR
SCHEMBL5332024 0.86 SMN1; SMN2 (0.43) MAPK8MAPK9HDAC6THRBPGR
SCHEMBL5331602 0.81 PGR (0.46) MAPK8MAPK9THRBPGRRXFP1
SCHEMBL5334125 0.79 KMT2A (0.43) PGRRXFP1SMN1; SMN2MAPTPKM
SCHEMBL5327489 0.79 SMN1; SMN2 (0.40) MAPK8MAPK9THRBRXFP1SMN1; SMN2
SCHEMBL5332658 0.78 SMN1; SMN2 (0.39) MAPK8MAPK9THRBRXFP1SMN1; SMN2
SCHEMBL5333099 0.69 KDM4E (0.59) RXFP1SMN1; SMN2LMNAMAPTPKM
SCHEMBL3306391 0.66 RXFP1 (0.43) MAPK8MAPK9THRBPGRRXFP1
SCHEMBL5333721 0.64 SMN1; SMN2 (0.47) RXFP1SMN1; SMN2MAPTPKMKMT2A
SCHEMBL5331459 0.61 PGR (0.55) MAPK8MAPK9PGRRXFP1SMN1; SMN2

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
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO claimed
WO-2007028789-A1 QUINAZOLINE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 WO disclosed