SCHEMBL4738338

SCHEMBL4738338

CCOC(=O)C1=C(N)CCc2cc(Br)ccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.43
SRD5A2 P31213 1/20 0.43
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 2/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
RAB9A P51151 1/20 0.41
APAF1 O14727 1/20 0.40
SMAD3 P84022 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
GABRA1 P14867 1/20 0.38

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
SCHEMBL6653339 0.85 SRD5A1 (0.44) SRD5A1SRD5A2KDM4ESMN1; SMN2L3MBTL1
SCHEMBL10429668 0.80 SRD5A1 (0.61) SRD5A1SRD5A2KDM4ECYP1A2MEN1
SCHEMBL6648388 0.75 ALDH1A1 (0.42) KDM4ESMN1; SMN2L3MBTL1APAF1SMAD3
SCHEMBL14710227 0.75 SRD5A1 (0.48) SRD5A1SRD5A2SMN1; SMN2L3MBTL1CYP1A2
SCHEMBL23649905 0.72 CYP1A2 (0.40) SRD5A1SRD5A2KDM4ESMN1; SMN2CYP1A2
SCHEMBL30121173 0.72 CYP1A2 (0.40) SRD5A1SRD5A2KDM4ESMN1; SMN2CYP1A2
SCHEMBL6536547 0.71 SRD5A1 (0.50) SRD5A1SRD5A2CYP1A2MAPTNPC1
SCHEMBL9134338 0.71 SMAD3 (0.42) SRD5A1SRD5A2KDM4ESMN1; SMN2L3MBTL1
SCHEMBL15529034 0.71 MAPT (0.41) KDM4ESMN1; SMN2L3MBTL1CYP1A2MEN1
SCHEMBL13790503 0.71 ALDH1A1 (0.51) KDM4ESMN1; SMN2L3MBTL1CYP1A2MEN1

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-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed
WO-2008086158-A1 BENZODIHYDROQUINAZOLINE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-07-17 WO disclosed