SCHEMBL10757283

SCHEMBL10757283

C1=NCCN1c1ccc2cccnc2n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDE10A Q9Y233 4/20 0.38
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GMNN O75496 1/20 0.33
TP53 P04637 1/20 0.33
HSP90AA1 P07900 1/20 0.33
MMP2 P08253 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
NFKB1 P19838 1/20 0.33
MMP8 P22894 1/20 0.33

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
SCHEMBL6921197 0.76 HRH3 (0.50) ALDH1A1KDM4ELMNANPC1RAB9A
SCHEMBL10509547 0.73 NPC1 (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5158090 0.73 NPC1 (0.49) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL5256809 0.73 PLD1 (0.46) ALDH1A1KDM4EMEN1KMT2ACYP3A4
SCHEMBL31192169 0.72 PDE10A (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL3559837 0.72 PDE10A (0.48) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL30376172 0.71 HTR2A (0.54) ALDH1A1KDM4ELMNAKMT2AGMNN
SCHEMBL28477055 0.71 HTR2A (0.54) ALDH1A1KDM4ELMNAKMT2AGMNN
SCHEMBL8588025 0.70 HTR3E (0.59) ALDH1A1KDM4ECYP3A4HTTPMP22
SCHEMBL10507905 0.70 GAA (0.54) PDE10ANPC1RAB9AMTORHTT

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-0230239-A2 Naphthyridine derivatives, process for their preparation and their use as agents with a herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-29 EP disclosed
EP-0230239-A2 Naphthyridine derivatives, process for their preparation and their use as agents with a herbicidal activity SCHERING AKTIENGESELLSCHAFT (DE) 1987-07-29 EP disclosed