SCHEMBL1435729

SCHEMBL1435729

O=C(Cn1nnc(-c2ccccc2)n1)NN=Cc1ccc(-c2ccc(O)c(C(=O)O)c2)o1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.73
▸ HPGD P15428 5/20 0.73
▸ MEN1 O00255 5/20 0.73
▸ KMT2A Q03164 5/20 0.73
▸ MAPT P10636 5/20 0.73
▸ GAA P10253 4/20 0.73
▸ KDM4E B2RXH2 11/20 0.62
▸ L3MBTL1 Q9Y468 3/20 0.56
▸ LMNA P02545 3/20 0.51
▸ HTT P42858 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ LDHA P00338 2/20 0.48
▸ CTSL P07711 1/20 0.48
▸ TDP1 Q9NUW8 3/20 0.47
▸ LDHB P07195 1/20 0.47
▸ HAO1 Q9UJM8 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL1435725 1.00 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL13567515 1.00 ALDH1A1 (0.73) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL12817961 0.91 ALDH1A1 (0.68) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1435370 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1435373 0.85 ALDH1A1 (0.53) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL8298573 0.76 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1435732 0.76 LDHA (0.43) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL6720913 0.73 MAPT (0.75) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL17124156 0.69 ALDH1A1 (0.60) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL12818316 0.68 POLB (0.67) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802297-B1 COMPOSITIONS AND METHODS FOR TREATMENT OF DISEASE CAUSED BY YERSINIA SPP INFECTION BURNHAM INST (US) 2011-03-30 — — EP claimed
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