SCHEMBL24254616

SCHEMBL24254616

O=C(NS)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 4/20 0.53
PKM P14618 1/20 0.53
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP1 P03956 1/20 0.45
MMP3 P08254 1/20 0.45
MMP8 P22894 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5800573 0.80 HTT (0.59) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL10001901 0.78 HTT (0.57) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL25511841 0.77
SCHEMBL1056413 0.76 HTT (0.55) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL9459556 0.76 HTT (0.55) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL675834 0.76 POLB (0.68) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL5117284 0.76 HTT (0.55) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL17325765 0.76 HTT (0.55) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL6242198 0.76 HTT (0.55) HTTSMN1; SMN2PKMCYP2C9CYP2C19
SCHEMBL29098443 0.74 HTT (0.53) HTTSMN1; SMN2PKMCYP2C9CYP2C19

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-2022035799-A1 HETEROCYCLE CDK INHIBITORS AND THEIR USE THEREOF PRELUDE THERAPEUTICS INCORPORATED (US) 2022-02-17 WO disclosed