SCHEMBL16573272

SCHEMBL16573272

COC(=O)CCCc1ccc(NC(C)=S)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.55
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.44
HPGD P15428 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL6535275 0.88 EPHX2 (0.57) EPHX2POLBKMT2ASMN1; SMN2ALDH1A1
SCHEMBL16573271 0.84 POLB (0.49) POLBSMN1; SMN2ALDH1A1HPGDMAPT
SCHEMBL22921868 0.83 TSHR (0.58) EPHX2KMT2AALDH1A1HTTMAPT
SCHEMBL9054540 0.81 EPHX2 (0.53) EPHX2
SCHEMBL4512426 0.80 EPHX2 (0.52) EPHX2SMN1; SMN2ALDH1A1HTTHPGD
Hydrochloric Acid SCHEMBL10361237 0.79 EPHX2 (0.53) EPHX2ALDH1A1HTTHPGD
SCHEMBL17064261 0.78 EPHX2 (0.55) EPHX2SMN1; SMN2ALDH1A1HTTHPGD
SCHEMBL12510584 0.78 SMN1; SMN2 (0.53) EPHX2SMN1; SMN2HTTHPGD
SCHEMBL8896434 0.78 HSD17B10 (0.67) EPHX2KMT2AHPGD
SCHEMBL393227 0.78 EPHX2 (0.56) EPHX2KMT2ASMN1; SMN2ALDH1A1HTT

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-2444085-B1 Diarylhydantoin compounds as androgen receptor antagonists for treatment of cancer UNIV CALIFORNIA (US) 2015-03-18 EP disclosed