SCHEMBL2879632

SCHEMBL2879632

CCCn1ncc2c(Nc3ccccc3)nc(-c3cccc(S(=O)(=O)N4CCC(C(=O)OCC)CC4)c3)nc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
HSD17B10 Q99714 4/20 0.51
TSHR P16473 3/20 0.51
USP2 O75604 2/20 0.51
GAA P10253 2/20 0.51
KDM4E B2RXH2 5/20 0.51
HTT P42858 4/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
LMNA P02545 4/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
RAB9A P51151 1/20 0.48
PIK3CA P42336 1/20 0.44
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
VCAM1 P19320 1/20 0.42
AURKA O14965 1/20 0.42

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
SCHEMBL2832269 0.82 PIK3CA (0.46) ALDH1A1HSD17B10TSHRGAAKDM4E
SCHEMBL2856614 0.76 PDE5A (0.55) ALDH1A1TSHRKDM4EHTTMAPK1
SCHEMBL3339720 0.70 KMT2A (1.00) ALDH1A1HTTMAPK1KMT2AMEN1
SCHEMBL6792419 0.67 KMT2A (0.88) ALDH1A1GAAKDM4EHTTSMN1; SMN2
SCHEMBL3185882 0.67 KDM4C (0.47) ALDH1A1KDM4EAURKA
SCHEMBL22070916 0.66 KMT2A (0.71) ALDH1A1HSD17B10TSHRUSP2GAA
SCHEMBL6237506 0.65 ALDH1A1 (0.81) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL2785338 0.64 SRC (0.56) GAAKMT2AMEN1RAB9A
SCHEMBL2476165 0.62 ALDH1A1 (1.00) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL2855842 0.62 HTR2C (0.48) RAB9APIK3CAMAPT

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