SCHEMBL24554456

SCHEMBL24554456

COC(=O)c1cc(C(=O)c2n[nH]c3ccccc23)sc1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.59
STAT3 P40763 1/20 0.59
HIF1A Q16665 1/20 0.59
FLT3 P36888 3/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46
YTHDC1 Q96MU7 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
CDK2 P24941 1/20 0.44
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43

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
SCHEMBL29805260 0.76 KDM4E (1.00) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL498053 0.76 KDM4E (1.00) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL9722754 0.75 ALDH1A1 (0.61) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL21449273 0.73 KDM4E (0.68) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL9806950 0.71 CISD2 (0.57) KDM4EALDH1A1GAAMEN1MAPT
SCHEMBL31148407 0.71 KDM4E (0.66) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL7668372 0.71 KDM4E (0.66) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL22462466 0.70 MEN1 (0.66) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL24554622 0.69 KDM4E (0.53) KDM4ESTAT3HIF1AFLT3ALDH1A1
SCHEMBL9722802 0.69 CISD2 (0.60) KDM4EALDH1A1GAAMEN1MAPT

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-2022133480-A1 ARYL HYDROCARBON RECEPTOR (AHR) AGONISTS AND USES THEREOF Ikena Oncology, Inc. (US) 2022-06-23 WO disclosed