SCHEMBL29933753

SCHEMBL29933753

O=C(O)c1cnc2cccc(Br)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.56
PSMD14 O00487 1/20 0.42
POLB P06746 1/20 0.41
HCAR2 Q8TDS4 1/20 0.41
NAPRT Q6XQN6 1/20 0.41
KDM4E B2RXH2 2/20 0.40
P4HA1 P13674 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
BACE1 P56817 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PRNP P04156 1/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
MIF P14174 1/20 0.38
HCAR3 P49019 1/20 0.38
LDHA P00338 1/20 0.38

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
SCHEMBL23359976 1.00 MGAM (0.56) MGAMPSMD14POLBHCAR2NAPRT
SCHEMBL23112645 0.81 PSMD14 (0.47) PSMD14POLBKDM4EALDH1A1HPGD
SCHEMBL2200090 0.81 MGAM (0.57) MGAMPSMD14NAPRTKDM4EP4HA1
SCHEMBL10465985 0.81 MGAM (0.57) MGAMPSMD14NAPRTKDM4EP4HA1
SCHEMBL23360530 0.81 KMT2A (0.52) KDM4EP4HTMALDH1A1MEN1KMT2A
SCHEMBL30251757 0.80 MGAM (0.56) MGAMPSMD14HCAR2NAPRTP4HA1
SCHEMBL21241470 0.80 MGAM (0.56) MGAMPSMD14NAPRTP4HA1P4HTM
SCHEMBL9353615 0.80 MGAM (0.56) MGAMPSMD14HCAR2NAPRTKDM4E
SCHEMBL4221331 0.80 MGAM (0.56) MGAMPSMD14HCAR2NAPRTP4HA1
Hydrochloric Acid SCHEMBL23112333 0.79 MGAM (0.54) MGAMPSMD14HCAR2NAPRTKDM4E

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-4055014-A1 PYRROLIDINE AND PIPERIDINE COMPOUNDS Yuhan Corporation (KR) 2022-09-14 EP disclosed