SCHEMBL1966374

SCHEMBL1966374

CCCCCc1nc2ccccn2c1Nc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
GAA P10253 4/20 0.48
KDM4E B2RXH2 3/20 0.48
HPGD P15428 3/20 0.48
PKM P14618 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GFER P55789 1/20 0.48
PTGS2 P35354 1/20 0.48
KCNH3 Q9ULD8 1/20 0.48
HTT P42858 2/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43

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
SCHEMBL1966660 0.99 MAPT (0.47) MAPTGAAKDM4EHPGDPKM
SCHEMBL1966588 0.85 PTGS2 (0.53) MAPTGAAKDM4EHPGDPKM
SCHEMBL1966792 0.82 GAA (0.48) MAPTGAAKDM4EHPGDPKM
SCHEMBL1969440 0.78 GAA (0.50) MAPTGAAKDM4EHPGDPKM
SCHEMBL1967084 0.78 GAA (0.50) MAPTGAAKDM4EHPGDPKM
SCHEMBL13464237 0.78 ALDH1A1 (0.57) MAPTGAAKDM4EALDH1A1GFER
SCHEMBL18956283 0.77 AGTR1 (0.52) MAPTGAAKDM4EHPGDALDH1A1
SCHEMBL1966373 0.77 ALDH1A1 (0.59) MAPTGAAKDM4EALDH1A1GFER
SCHEMBL1966657 0.77 ALDH1A1 (0.59) MAPTGAAKDM4EALDH1A1GFER
SCHEMBL2984318 0.75 GAA (0.57) MAPTGAAKDM4EPKMALDH1A1

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
EP-2334675-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2011-06-22 EP disclosed
WO-2010032195-A1 IMIDAZOPYRIDINES AND IMIDAZOPYRIMIDINES AS HIV-I REVERSE TRANSCRIPTASE INHIBITORS CSIR (ZA) 2010-03-25 WO disclosed