SCHEMBL5749047

SCHEMBL5749047

CCCCCCCCCCc1cnc(N)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
MAPT P10636 3/20 0.53
KDM4E B2RXH2 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MEN1 O00255 1/20 0.53
USP2 O75604 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
KMT2A Q03164 1/20 0.53
RARB P10826 1/20 0.49
HTR2A P28223 1/20 0.48
NPC1 O15118 1/20 0.46
STAT3 P40763 1/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
PTGS2 P35354 3/20 0.44
ESR1 P03372 2/20 0.44

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
SCHEMBL5750627 1.00 RAB9A (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL5748785 1.00 RAB9A (0.53) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL4563146 0.98 RAB9A (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL6615395 0.82 NPC1 (0.41) RAB9AMAPTKDM4ESMN1; SMN2HSD17B10
SCHEMBL28055917 0.81 RARB (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12186156 0.81 RARB (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL12186163 0.81 RARB (0.50) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL9850844 0.79 MAPT (0.54) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL8126315 0.79 RARB (0.49) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1
SCHEMBL7839207 0.79 RARB (0.49) RAB9AMAPTKDM4ESMN1; SMN2ALDH1A1

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