SCHEMBL2832269

SCHEMBL2832269

CCCn1ncc2c(Nc3ccc(C)cc3)nc(-c3cccc(S(=O)(=O)N4CCCC4)c3)nc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.46
LMNA P02545 5/20 0.44
NPSR1 Q6W5P4 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.44
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.39
GGPS1 O95749 1/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CDK5 Q00535 1/20 0.39

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
SCHEMBL2879632 0.82 ALDH1A1 (0.51) PIK3CALMNAMEN1KMT2AALDH1A1
SCHEMBL2804510 0.81 NPC1 (0.47) PIK3CALMNANPSR1MEN1KMT2A
SCHEMBL2856614 0.71 PDE5A (0.55) PIK3CALMNANPSR1MEN1KMT2A
SCHEMBL2855842 0.69 HTR2C (0.48) PIK3CAMAPTNPC1RAB9AGGPS1
SCHEMBL2860019 0.67 PIK3CA (0.58) PIK3CALMNANPSR1MEN1KMT2A
SCHEMBL2864782 0.66 MEN1 (0.53) PIK3CAMEN1KMT2ANPC1RAB9A
SCHEMBL2861201 0.65 PIK3CA (0.46) PIK3CAKMT2ABRD4POLB
SCHEMBL2856457 0.65 PIK3CA (0.52) PIK3CAMEN1KMT2AALDH1A1HTT
SCHEMBL3185882 0.65 KDM4C (0.47) ALDH1A1KDM4EGGPS1
SCHEMBL2807570 0.65 PIK3CA (0.56) PIK3CANPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed