SCHEMBL30777936

SCHEMBL30777936

NNC(=O)c1cccc2nc3ccccc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 11/20 0.51
ALDH1A1 P00352 8/20 0.51
KDM4E B2RXH2 7/20 0.51
KMT2A Q03164 6/20 0.51
POLB P06746 4/20 0.51
LMNA P02545 3/20 0.51
NPC1 O15118 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
PTBP1 P26599 1/20 0.51
RAB9A P51151 1/20 0.51
RCE1 Q9Y256 1/20 0.51
MAPT P10636 6/20 0.51
MEN1 O00255 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
MITF O75030 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
GALR3 O60755 1/20 0.44
NR2F2 P24468 1/20 0.44

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
SCHEMBL28573106 1.00 GAA (0.51) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL28061458 0.82 CA1 (0.51) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL3535241 0.82 ALDH1A1 (0.51) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL154847 0.82 ALDH1A1 (0.64) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL10934941 0.82 KMT2A (0.45) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL222908 0.82 NR4A1 (0.60) GAAALDH1A1KDM4EKMT2APOLB
SCHEMBL27356901 0.82 ALDH1A1 (0.55) GAAALDH1A1KDM4EKMT2APOLB
Hydrochloric Acid SCHEMBL8048420 0.81 ALDH1A1 (0.50) GAAALDH1A1KDM4EKMT2APOLB
Hydrochloric Acid SCHEMBL8197602 0.81 ALDH1A1 (0.62) GAAALDH1A1KDM4EKMT2APOLB
Water SCHEMBL7769203 0.80 NR4A1 (0.58) GAAALDH1A1KDM4EKMT2APOLB

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-4331610-A1 POLYPLEX-SAPONIN COVALENT CONJUGATE Sapreme Technologies B.V. (NL) 2024-03-06 EP disclosed