SCHEMBL25865974

SCHEMBL25865974

CCCCNC(=O)NSc1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.43
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.42
HTT P42858 3/20 0.41
TSHR P16473 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ATM Q13315 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
CYP2C9 P11712 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
EPHX2 P34913 1/20 0.40
MAPT P10636 1/20 0.39

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
SCHEMBL14873157 0.86 HPGD (0.57) EPHX1HPGDPOLBHTTTSHR
SCHEMBL22289850 0.84 LMNA (0.54) EPHX1HPGDPOLBHTTTSHR
SCHEMBL10667594 0.79 EPHX1 (0.61) EPHX1HPGDHTTALDH1A1EPHX2
SCHEMBL19741321 0.79 EPHX1 (0.61) EPHX1HPGDHTTALDH1A1EPHX2
SCHEMBL14424456 0.76 HDAC1 (0.65) EPHX1POLBHTTHDAC1HDAC2
SCHEMBL9528272 0.76 MGLL (0.57) EPHX1HTTALDH1A1SMN1; SMN2
SCHEMBL9533114 0.76 MGLL (0.57) EPHX1HTTALDH1A1SMN1; SMN2
SCHEMBL19741475 0.76 MEN1 (0.50) EPHX1HPGDHTTALDH1A1SMN1; SMN2
SCHEMBL22289535 0.74 EPHX1 (0.45) EPHX1HPGDPOLBHTTALDH1A1
SCHEMBL5940563 0.72 LMNA (0.64) HTTTSHRHDAC1HDAC2ALDH1A1

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-4198059-A1 MODULATION OF CELLULAR STRESS The University of Queensland (AU) 2023-06-21 EP disclosed