SCHEMBL24344113

SCHEMBL24344113

C=C/C(=N\C)NC(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.33
THRA P10827 1/20 0.33
THRB P10828 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
NAMPT P43490 1/20 0.31
ACACB O00763 1/20 0.30
UBE2N P61088 2/20 0.30

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
SCHEMBL20442004 0.71 KMT2A (0.47) KMT2APOLBHTTALDH1A1HPGD
SCHEMBL24343792 0.69 KMT2A (0.45) KMT2APOLBHTTALDH1A1PKM
SCHEMBL24666975 0.69 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL246975 0.68 POLB (0.48) KMT2APOLBHTTALDH1A1PKM
SCHEMBL29300135 0.68 TSHR (0.35)
SCHEMBL24992694 0.68 KMT2A (0.40) KMT2APOLBHTTALDH1A1HPGD
SCHEMBL20442848 0.67 KMT2A (0.39) KMT2APOLBHTTALDH1A1PKM
SCHEMBL20967313 0.66 POLB (0.33) KMT2APOLBHTT
SCHEMBL19594793 0.66 POLB (0.35) KMT2APOLBHTTALDH1A1HPGD
SCHEMBL3719107 0.65

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-2022076975-A1 5- AND 6-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed