SCHEMBL30211375

SCHEMBL30211375

O=C(O)c1ccccc1-c1nnnc(-c2ccccc2C(=O)O)c1-c1ccccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.55
ALDH1A1 P00352 7/20 0.48
ALOX15 P16050 1/20 0.48
HNF4A P41235 1/20 0.47
MAPT P10636 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
ALOX12 P18054 1/20 0.44
KDM4E B2RXH2 5/20 0.44
SOS1 Q07889 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 2/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL7863345 0.81 LMNA (0.54) MYCALDH1A1ALOX15LMNACYP3A4
SCHEMBL11217790 0.81 MYC (0.69) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL11061912 0.77 MYC (0.64) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL36145 0.76 ALDH1A1 (0.72) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL30028907 0.76 ALDH1A1 (0.72) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL10712498 0.76 MYC (0.58) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL160565 0.75 MYC (0.68) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL28350262 0.75 SOS1 (0.67) MYCALDH1A1ALOX15HNF4AMAPT
SCHEMBL31540338 0.75 MYC (0.68) MYCALDH1A1ALOX15HNF4AMAPT
Hydrochloric Acid SCHEMBL10888462 0.74 ALDH1A1 (0.68) MYCALDH1A1ALOX15HNF4AMAPT

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-4154339-A1 PROCESS FOR PURIFYING HYDROGEN GAS FOR USE IN FUEL CELLS Numat Technologies Inc. (US) 2023-03-29 EP disclosed