SCHEMBL8860107

SCHEMBL8860107

c1cnc2c(c1)nc1ccccn12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.59
GAA P10253 8/20 0.59
KDM4E B2RXH2 6/20 0.59
GLA P06280 5/20 0.59
HPGD P15428 3/20 0.59
NPC1 O15118 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CASP1 P29466 1/20 0.59
CASP7 P55210 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.50
HTR3E A5X5Y0 4/20 0.47
HTR3B O95264 4/20 0.47
HTR3A P46098 4/20 0.47
HTR3D Q70Z44 4/20 0.47
HTR3C Q8WXA8 4/20 0.47
MAPT P10636 3/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 1/20 0.45

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
SCHEMBL10339690 0.77 KDM4E (0.63) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL4495624 0.73 KDM4E (0.63) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL30286612 0.73 GAA (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL3341910 0.73 GAA (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL839837 0.72 ALDH1A1 (0.62) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL12145470 0.70 CYP3A4 (0.44) ALDH1A1KDM4EHPGDNPC1HSD17B10
SCHEMBL8570625 0.70 HTR3E (0.55) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL26907050 0.69 KDM4E (0.57) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL8394213 0.68 KDM4E (0.65) ALDH1A1GAAKDM4EGLAHPGD
SCHEMBL1104759 0.68 MET (0.43) ALDH1A1GAAKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5639873-A Oligothionucleotides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1997-06-17 US claimed
EP-0290583-B1 $g(a) OLIGONUCLEOTIDES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-04-07 EP claimed
EP-0214908-B1 COMPOUNDS CONTAINING AN OLIGONUCLEOTIDE SEQUENCE LINKED TO AN INTERCALATING AGENT AND TO AN ACTIVABLE CHEMICAL GROUP, THEIR SYNTHESIS AND APPLICATIONS TO ARTIFICIAL SEQUENCE-SPECIFIC NUCLEASES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1990-11-07 EP claimed
US-5639873-A Oligothionucleotides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1997-06-17 US disclosed
US-5563132-A Two-step cancer treatment method BODANESS RICHARD S (US) 1996-10-08 US disclosed
EP-0118913-B1 PORPHYRIN DERIVATIVES Shudo, Koichi, Prof. Dr. (JP) 1989-06-21 EP disclosed
US-4658023-A ANTITUMOR AGENTS SHUDO KOICHI (JP) 1987-04-14 US disclosed
US-4658023-A ANTITUMOR AGENTS SHUDO KOICHI (JP) 1987-04-14 US disclosed
EP-0118913-A2 Porphyrin derivatives Shudo, Koichi, Prof. Dr. (JP) 1984-09-19 EP disclosed