SCHEMBL23396295

SCHEMBL23396295

C=CC(=O)c1cc(OC2CCN(C(C)=O)CC2)cc(C(=C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.41
CHEK2 O96017 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
CYP11B2 P19099 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39
P2RX3 P56373 1/20 0.38
P2RX2 Q9UBL9 1/20 0.38
CHUK O15111 1/20 0.38
BRD4 O60885 1/20 0.38
NAMPT P43490 1/20 0.38
PRMT5 O14744 1/20 0.38
POLB P06746 1/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 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
SCHEMBL23396265 0.81 POLB (0.32) MEN1KMT2APOLB
SCHEMBL23396016 0.76 CHEK2 (0.37) IKBKBCHEK2MEN1KMT2ACYP4F2
SCHEMBL23395912 0.74 EPHX2 (0.41) IKBKBCHEK2MEN1KMT2ACYP4F2
SCHEMBL9013908 0.70 CHEK2 (0.48) IKBKBCHEK2MEN1KMT2ACYP4F2
SCHEMBL2091338 0.70 EPHX2 (0.57) IKBKBCYP4F2CYP4A11CHUKNAMPT
SCHEMBL16220677 0.69 EPHX2 (0.56) CHEK2CYP4F2CYP4A11HRH3NAMPT
SCHEMBL9013886 0.69 CASP6 (0.53) IKBKBCHEK2KMT2ACYP4F2CYP4A11
SCHEMBL2094409 0.69 HRH3 (0.49) IKBKBCHEK2CYP4F2CYP4A11HRH3
SCHEMBL227303 0.69 CYP4F2 (0.49) IKBKBCHEK2KMT2ACYP4F2CYP4A11
SCHEMBL693534 0.68 CYP4F2 (0.48) IKBKBCHEK2KMT2ACYP4F2CYP4A11

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