SCHEMBL21568043

SCHEMBL21568043

Cc1cccc(NC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.79
MEN1 O00255 6/20 0.79
KDM4E B2RXH2 5/20 0.79
ALDH1A1 P00352 5/20 0.79
POLB P06746 2/20 0.79
LMNA P02545 1/20 0.79
MAPT P10636 1/20 0.79
HTT P42858 1/20 0.79
ATM Q13315 1/20 0.79
NPC1 O15118 6/20 0.72
RAB9A P51151 6/20 0.72
RXFP1 Q9HBX9 4/20 0.72
SMN1; SMN2 Q16637 4/20 0.70
HPGD P15428 1/20 0.70
RECQL P46063 1/20 0.70
HSD17B10 Q99714 2/20 0.68
L3MBTL1 Q9Y468 1/20 0.64
ACP1 P24666 1/20 0.59
TP53 P04637 1/20 0.59
TSHR P16473 1/20 0.59

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
SCHEMBL21568038 0.88 KMT2A (1.00) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL27093077 0.87 DYRK1A (0.67) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL23256372 0.85 KMT2A (0.73) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4919955 0.82 KDM4E (1.00) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL21858356 0.82 CXCR2 (0.69) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL31206289 0.82 CXCR2 (0.69) KMT2AMEN1ALDH1A1POLBLMNA
SCHEMBL6463656 0.80 ALDH1A1 (0.71) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL4124786 0.79 DYRK1A (0.74) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL27093090 0.79 NPC1 (0.80) KMT2AMEN1KDM4EALDH1A1POLB
SCHEMBL27093078 0.79 KDR (0.75) KMT2AMEN1KDM4EALDH1A1POLB

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-2019217509-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER HB THERAPEUTICS INC. (US) 2019-11-14 WO disclosed