SCHEMBL5748952

SCHEMBL5748952

CCCCCCCCCCc1ncccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DHFR P00374 1/20 0.44
KCNH2 Q12809 2/20 0.43
PDPK1 O15530 1/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL27550187 1.00 TDP1 (0.47) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL27524862 1.00 TDP1 (0.47) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL5745538 1.00 TDP1 (0.47) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL5746124 1.00 TDP1 (0.47) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL5369216 0.98 TDP1 (0.49) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL510211 0.93 CYP2C9 (0.43) TDP1L3MBTL1DHFRPDPK1HPGD
Hydrochloric Acid SCHEMBL28992846 0.91 CYP2C9 (0.42) TDP1L3MBTL1PDPK1HPGDCYP1A2
SCHEMBL28506433 0.91 CYP1A2 (0.41) TDP1L3MBTL1DHFRKCNH2PDPK1
SCHEMBL29806076 0.85 NOS2 (0.40) L3MBTL1DHFRPDPK1HPGDCYP1A2
SCHEMBL1093436 0.85 NOS2 (0.40) L3MBTL1DHFRPDPK1HPGDCYP1A2

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
US-20060293503-A1 Polyaminopyridines and method for producing same SUMITOMO SEIKA CHEMICALS CO., LTD (JP) 2006-12-28 US disclosed
EP-1669390-A1 POLYAMINOPYRIDINES AND METHOD FOR PRODUCING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2006-06-14 EP disclosed