SCHEMBL23396016

SCHEMBL23396016

C=C/C=C(/C)SC(=C)c1cc(OC2CCN(C(C)=O)CC2)cc(C(=O)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.37
SRD5A1 P18405 1/20 0.35
CYP11B2 P19099 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
IKBKB O14920 2/20 0.35
SRD5A2 P31213 1/20 0.35
CHUK O15111 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
HRH1 P35367 1/20 0.34
CCR3 P51677 1/20 0.34
P2RX3 P56373 1/20 0.34
P2RX2 Q9UBL9 1/20 0.34
LNPEP Q9UIQ6 1/20 0.33
PRMT5 O14744 1/20 0.33
F10 P00742 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33

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
SCHEMBL23396146 0.86 KMT2A (0.35) SRD5A1MEN1KMT2ASRD5A2EPHX2
SCHEMBL23396270 0.82 KMT2A (0.32) KMT2A
SCHEMBL23395912 0.80 EPHX2 (0.41) CHEK2CYP11B2HRH3MEN1KMT2A
SCHEMBL23396295 0.76 IKBKB (0.41) CHEK2CYP11B2HRH3MEN1KMT2A
SCHEMBL23395865 0.74 KMT2A (0.32) KMT2AF10PRSS1PRSS2PRSS3
SCHEMBL23396015 0.73 CA12 (0.43)
SCHEMBL23395836 0.72
SCHEMBL23395823 0.71 P2RX3 (0.38) P2RX3P2RX2
SCHEMBL23395885 0.71 PLA2G2A (0.33) MEN1KMT2AP2RX3P2RX2
SCHEMBL23395958 0.69 TDP2 (0.30)

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
EP-3230281-B1 1,3-THIAZOL-2-YL SUBSTITUTED BENZAMIDES BAYER AG (DE) 2021-05-26 EP disclosed