SCHEMBL5327489

SCHEMBL5327489

CC(C)Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2ccc(NCCO)cc21

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
THRB P10828 1/20 0.39
TP53 P04637 7/20 0.38
MAPT P10636 6/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SHMT2 P34897 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
SCHEMBL5331602 0.89 PGR (0.46) SMN1; SMN2KMT2APKMTHRBTP53
SCHEMBL5332024 0.88 SMN1; SMN2 (0.43) SMN1; SMN2KMT2APKMTHRBTP53
SCHEMBL5326569 0.85 MAPK8 (0.53) SMN1; SMN2KMT2ATHRBTP53MAPT
SCHEMBL5334125 0.85 KMT2A (0.43) SMN1; SMN2KMT2APKMTP53MAPT
SCHEMBL5332658 0.85 SMN1; SMN2 (0.39) SMN1; SMN2KMT2APKMTHRBTP53
SCHEMBL5328634 0.79 MAPK8 (0.42) SMN1; SMN2KMT2APKMTHRBTP53
SCHEMBL3306391 0.76 RXFP1 (0.43) SMN1; SMN2THRBTP53MAPTMAPK8
SCHEMBL5333099 0.73 KDM4E (0.59) SMN1; SMN2KMT2APKMTP53MAPT
SCHEMBL5333721 0.69 SMN1; SMN2 (0.47) SMN1; SMN2KMT2APKMTP53MAPT
SCHEMBL5331459 0.65 PGR (0.55) SMN1; SMN2MAPTMAPK8MAPK9RXFP1

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