SCHEMBL13754231

SCHEMBL13754231

Nc1ccc(CN2C(=O)S/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 6/20 0.61
▸ PTPN1 P18031 4/20 0.58
▸ ACP1 P24666 4/20 0.58
▸ MEN1 O00255 4/20 0.50
▸ KMT2A Q03164 4/20 0.50
▸ POLB P06746 3/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ CRHBP P24387 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ CRHR2 Q13324 1/20 0.50
▸ NOD2 Q9HC29 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2174338 0.89 MEN1 (0.64) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2174336 0.89 MEN1 (0.64) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2176314 0.86 HSD17B3 (0.58) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2176319 0.86 HSD17B3 (0.58) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL13754233 0.86 HSD17B3 (0.54) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2172525 0.84 PTPN1 (0.63) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2172529 0.84 PTPN1 (0.63) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL13754218 0.84 SLC2A1 (0.64) PTPN1ACP1MEN1KMT2APOLB
SCHEMBL15682751 0.83 MEN1 (0.61) HSD17B3PTPN1ACP1MEN1KMT2A
SCHEMBL2171597 0.82 HSD17B3 (0.54) HSD17B3PTPN1ACP1MEN1KMT2A

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
WO-2009105621-A1 ANDROGEN RECEPTOT-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-08-27 — — WO disclosed
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