SCHEMBL9239487

SCHEMBL9239487

OC(=S)Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.37
CYP11B2 P19099 3/20 0.37
HDAC3 O15379 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSP90AA1 P07900 1/20 0.33
BMP1 P13497 1/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
HIF1A Q16665 2/20 0.31
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
TRPM2 O94759 1/20 0.31
ABCB11 O95342 1/20 0.31
EGFR P00533 1/20 0.31

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
SCHEMBL9234834 0.85 HDAC3 (0.37) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL6613495 0.84 HDAC3 (0.40) CYP11B1CYP11B2HDAC3HDAC6BMP1
SCHEMBL1765841 0.82 CYP11B1 (0.40) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL8481796 0.79 CYP11B1 (0.40) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL28067941 0.78 CYP11B1 (0.42) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL27089283 0.77 SMN1; SMN2 (0.36) CYP11B1CYP11B2HDAC3HDAC6BMP1
SCHEMBL25307807 0.76 CYP11B1 (0.38) CYP11B1CYP11B2HDAC3HDAC6NR1I2
SCHEMBL27579878 0.76 CYP11B1 (0.38) CYP11B1CYP11B2HDAC3HDAC6HSP90AA1
SCHEMBL3516047 0.76 CYP11B1 (0.41) CYP11B1CYP11B2HDAC3HDAC6ALOX15
SCHEMBL9235495 0.75 CYP11B1 (0.37) CYP11B1CYP11B2HDAC3HDAC6BMP1

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-0675112-A1 Imidazole-containing inhibitors of farnesyl protein transferase BRISTOL-MYERS SQUIBB COMPANY (US) 1995-10-04 EP disclosed