SCHEMBL7445370

SCHEMBL7445370

CN(c1cccc([N+](=O)[O-])c1)c1ncccc1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 1/20 0.51
ALDH1A1 P00352 6/20 0.45
MAPT P10636 5/20 0.45
KMT2A Q03164 5/20 0.45
MEN1 O00255 4/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
KCNH2 Q12809 1/20 0.45
TP53 P04637 2/20 0.43
HTT P42858 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
MAPK1 P28482 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL7448803 0.89 ALDH1A1 (0.55) ABCG2ALDH1A1MAPTKMT2AMEN1
SCHEMBL10427732 0.80 NAPRT (0.51) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL11366517 0.80 GRM4 (0.53) ALDH1A1MAPTKMT2AMEN1RAB9A
SCHEMBL12048735 0.74 ABCG2 (0.59) ABCG2ALDH1A1MAPTKMT2AMEN1
SCHEMBL2181678 0.73 MEN1 (0.50) ABCG2ALDH1A1MAPTKMT2AMEN1
SCHEMBL7273341 0.73 PDE4D (0.60) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL10768030 0.73 PDE4D (0.60) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL12550512 0.72 ALDH1A1 (0.54) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL28694564 0.72 NAPRT (0.46) ALDH1A1MAPTKMT2AMEN1TDP1
SCHEMBL8804915 0.71 ALDH1A1 (0.50) ALDH1A1MAPTKMT2AMEN1NPC1

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-0631580-A1 PYRIDO 2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1995-01-04 EP disclosed
WO-1993019068-A1 PYRIDO[2,3-d]PYRIMIDINE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1993-09-30 WO disclosed