SCHEMBL4599282

SCHEMBL4599282

c1ccc(C(c2ccccc2)(c2ccccc2)n2cnc3c([AsH]Cc4ccco4)ncnc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
ALDH1A1 P00352 4/20 0.33
TP53 P04637 3/20 0.33
MAPK1 P28482 3/20 0.33
HPGD P15428 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 1/20 0.33
ALOX15 P16050 1/20 0.33
RAB9A P51151 1/20 0.33
MAPK10 P53779 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
PAX8 Q06710 2/20 0.31

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
SCHEMBL63354 0.78 CDK1 (0.61) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL62675 0.70 TSHR (0.36) ALDH1A1MAPK1HPGDNPSR1HTT
SCHEMBL4599284 0.70 PI4KA (0.32) CCNB2CDK1CCNB1CCNB3
SCHEMBL63355 0.70 CYP1A2 (0.33) MAPK1
SCHEMBL6699970 0.69 PI4KA (0.59) HPGDSMN1; SMN2LMNA
SCHEMBL9705370 0.69 PI4KA (0.37) CDK1
SCHEMBL5808902 0.66 SMN1; SMN2 (0.42) CCNB2CDK1CCNB1CCNB3ALDH1A1
SCHEMBL16783778 0.65 ADORA3 (0.39) CCNB2CDK1CCNB1CCNB3HTT
SCHEMBL20637862 0.63 CYP11B1 (0.37) TP53MAPK1NPSR1HTTALOX15
SCHEMBL30668845 0.63 CYP11B1 (0.37) TP53MAPK1NPSR1HTTALOX15

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
EP-1926703-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP Assets B.V. (NL) 2008-06-04 EP disclosed
WO-2007039059-A1 NOVEL CARBOXYLIC ACID DERIVATIVES DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed