SCHEMBL29774207

SCHEMBL29774207

O=C(O)c1cnc(-c2ccccc2)nc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 10/20 0.60
KMT2A Q03164 10/20 0.60
HPGD P15428 3/20 0.60
CRHBP P24387 2/20 0.54
CRHR2 Q13324 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.50
HTT P42858 1/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
MAPK1 P28482 1/20 0.49
ATM Q13315 1/20 0.49
NPC1 O15118 1/20 0.48
TP53 P04637 1/20 0.48
RAB9A P51151 1/20 0.48
LDHA P00338 1/20 0.46
CYP1A2 P05177 2/20 0.46

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
SCHEMBL27846466 0.82 MEN1 (0.49) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL6016478 0.82 MEN1 (0.69) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL3788527 0.82 MEN1 (0.60) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL319097 0.81 MEN1 (0.48) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL13983030 0.81 ATM (0.54) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL5778824 0.81 MEN1 (0.48) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL403150 0.81 ALDH1A1 (0.63) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL4279782 0.81 MEN1 (0.59) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL5264050 0.81 ALDH1A1 (0.65) MEN1KMT2AHPGDCRHBPCRHR2
SCHEMBL8085536 0.81 MEN1 (0.63) MEN1KMT2AHPGDCRHBPCRHR2

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
WO-2022138636-A1 METAL COMPLEX OR ADDUCT THEREOF, CATALYST COMPRISING METAL COMPLEX OR ADDUCT THEREOF AND METHOD FOR PRODUCING SAME, LIQUID COMPOSITION OR ELECTRODE CONTAINING CATALYST, AND AIR BATTERY OR FUEL CELL EQUIPPED WITH ELECTRODE AZUL Energy株式会社 2022-06-30 WO disclosed