SCHEMBL5333099

SCHEMBL5333099

O=c1[nH]c2cc(NCCO)ccc2c(=O)n1-c1cccc(Cl)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
GAA P10253 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 1/20 0.53
HPGD P15428 1/20 0.53
HIF1A Q16665 1/20 0.53
TP53 P04637 3/20 0.46
KMT2A Q03164 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 1/20 0.44
RXFP1 Q9HBX9 3/20 0.44
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL5334816 0.80 KDM4E (0.78) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL5334125 0.77 KMT2A (0.43) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL5332024 0.76 SMN1; SMN2 (0.43) SMN1; SMN2TP53KMT2AMAPTPKM
SCHEMBL5331602 0.75 PGR (0.46) SMN1; SMN2TP53KMT2AMAPTPKM
SCHEMBL6980347 0.75 KDM4E (1.00) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL5326569 0.74 MAPK8 (0.53) SMN1; SMN2HPGDTP53KMT2AMAPT
SCHEMBL5327489 0.73 SMN1; SMN2 (0.40) SMN1; SMN2TP53KMT2AMAPTPKM
SCHEMBL8480237 0.73 MEN1 (0.73) KDM4EGAASMN1; SMN2ALDH1A1HPGD
SCHEMBL5332658 0.72 SMN1; SMN2 (0.39) SMN1; SMN2TP53KMT2AMAPTPKM
SCHEMBL30067741 0.69 KDR (0.52) GAASMN1; SMN2ALDH1A1KMT2AMAPT

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