SCHEMBL31038403

SCHEMBL31038403

O=C(O)c1ccc2nc(-c3ccccc3)c(=O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.61
ALDH1A1 P00352 2/20 0.61
HPGD P15428 2/20 0.61
GAA P10253 1/20 0.61
MAPK8 P45983 1/20 0.60
MAPK9 P45984 1/20 0.60
MAPK10 P53779 1/20 0.60
HSP90AA1 P07900 1/20 0.56
ESR2 Q92731 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CHEK2 O96017 4/20 0.54
MLKL Q8NB16 1/20 0.53
NPSR1 Q6W5P4 1/20 0.52
NR4A2 P43354 1/20 0.52
PARP1 P09874 1/20 0.51
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51

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
SCHEMBL20456897 1.00 KDM4E (0.63) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17184425 0.89 KDM4E (0.63) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17184390 0.88 NR4A2 (0.70) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1458088 0.85 KDM4E (0.56) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10210427 0.82 RAB9A (0.55) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2630604 0.81 RAB9A (0.74) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL3178116 0.81 CHEK2 (0.78) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29101816 0.79 KDM4E (0.67) KDM4ENPC1RAB9AALDH1A1MAPK9
SCHEMBL29101814 0.79 KDM4E (0.68) KDM4ENPC1RAB9AALDH1A1HPGD
SCHEMBL30637068 0.79 KDM4E (0.68) KDM4ENPC1RAB9AALDH1A1HPGD

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
CN-118480009-A Compositions and methods for modulating short-chain dehydrogenase activity 卡斯西部储备大学 2024-08-13 CN disclosed