SCHEMBL30730320

SCHEMBL30730320

CCOC(=O)Cc1csc(C2CCCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HPGD P15428 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.51
GAA P10253 1/20 0.50
LMNA P02545 1/20 0.48
MAPK1 P28482 3/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.47
USP2 O75604 1/20 0.47
TP53 P04637 1/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL5279488 0.99 ALDH1A1 (0.57) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL25383120 0.86 MEN1 (0.50) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL12440420 0.81 ALDH1A1 (0.49) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5281554 0.80 DNM1L (0.40) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL5284550 0.79 HSD17B10 (0.50) ALDH1A1TDP1HPGDSMN1; SMN2GAA
SCHEMBL1245930 0.78 SMN1; SMN2 (0.60) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL996638 0.77 SMN1; SMN2 (0.62) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL1107420 0.76 MEN1 (0.68) ALDH1A1TDP1MEN1KMT2ASMN1; SMN2
SCHEMBL30730344 0.76 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2AHPGD
SCHEMBL1525238 0.75 MEN1 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4562015-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026481-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed