SCHEMBL24440337

SCHEMBL24440337

C=CCc1cccc(C(N)=O)c1OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 4/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
HSD17B10 Q99714 3/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
VCAM1 P19320 1/20 0.38
ELANE P08246 1/20 0.38
PARP1 P09874 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL14622099 0.86 KDM4E (0.44) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL5461755 0.86 MRGPRX4 (0.49) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL24440339 0.85 KDM4E (0.48) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL486062 0.84 KDM4E (0.44) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL17075501 0.82 PARP1 (0.44) KDM4ESMN1; SMN2MEN1KMT2AGABRA1
SCHEMBL26435287 0.81 MRGPRX4 (0.40) KDM4ESMN1; SMN2MEN1KMT2APARP1
SCHEMBL31410740 0.80 KDM4E (0.40) KDM4ESMN1; SMN2MEN1HTTKMT2A
SCHEMBL44672 0.80 GABRA1 (0.48) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL83923 0.79 KDM4E (0.50) KDM4EMEN1HTTKMT2AALDH1A1
SCHEMBL8089369 0.78 GABRA1 (0.42) KDM4ESMN1; SMN2MEN1HTTKMT2A

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-2022100710-A1 TYROSINE KINASE 2 (TYK2) DEGRADATION COMPOUNDS AND METHODS OF USE CULLGEN (SHANGHAI) , INC. (CN) 2022-05-19 WO disclosed