SCHEMBL2807894

SCHEMBL2807894

CCCn1ncc2c(-c3ccccc3)nc(N3CCCC3)nc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.52
LMNA P02545 1/20 0.52
SIGMAR1 Q99720 4/20 0.52
MERTK Q12866 1/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPK1 P28482 3/20 0.45
CASP1 P29466 3/20 0.45
CASP7 P55210 3/20 0.45
MAPT P10636 3/20 0.45
ATM Q13315 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.44
HRH1 P35367 1/20 0.43
HRH4 Q9H3N8 1/20 0.43
USP2 O75604 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
SCHEMBL2831681 0.84 SIGMAR1 (0.53) ALDH1A1L3MBTL1KDM4ESIGMAR1MEN1
SCHEMBL2786942 0.79 HRH4 (0.54) ALDH1A1KDM4EHPGDLMNAMAPK1
SCHEMBL2809937 0.79 HRH1 (0.44) LMNASIGMAR1MEN1KMT2AMAPK1
SCHEMBL4942177 0.75 ALDH1A1 (0.65) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL19140386 0.74 SIGMAR1 (0.42) ALDH1A1L3MBTL1KDM4EHPGDLMNA
SCHEMBL2835938 0.73 SLC2A1 (0.48) ALDH1A1HPGDMEN1KMT2AHSD17B10
SCHEMBL2814606 0.71 CDK1 (0.42) ALDH1A1SIGMAR1HTR2C
SCHEMBL2807570 0.71 PIK3CA (0.56) HTR2C
SCHEMBL2857759 0.71 ALDH1A1 (0.44) ALDH1A1KDM4EHPGDLMNASIGMAR1
SCHEMBL11979819 0.71 SIGMAR1 (0.51) SIGMAR1

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