SCHEMBL8288295

SCHEMBL8288295

O=C1/C(=C/C2=CCC(c3ccccc3Cl)O2)SC(=S)N1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 13/20 0.55
KMT2A Q03164 13/20 0.55
POLB P06746 7/20 0.55
USP2 O75604 1/20 0.55
GALK1 P51570 1/20 0.55
BLM P54132 1/20 0.55
MAPT P10636 3/20 0.53
MAPK1 P28482 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
CASP3 P42574 2/20 0.53
SENP8 Q96LD8 2/20 0.53
SENP7 Q9BQF6 2/20 0.53
SENP6 Q9GZR1 2/20 0.53
ALDH1A1 P00352 2/20 0.52
LMNA P02545 2/20 0.52
ALOX12 P18054 2/20 0.52
RECQL P46063 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPN1 P18031 1/20 0.51
HSP90AA1 P07900 2/20 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
SCHEMBL8288292 0.88 CRHBP (0.55) MEN1KMT2APOLBUSP2GALK1
SCHEMBL13766517 0.84 MAPT (0.45) MEN1KMT2APOLBUSP2GALK1
SCHEMBL8289161 0.83 MEN1 (0.56) MEN1KMT2APOLBUSP2GALK1
SCHEMBL8289216 0.76 PIM1 (0.55) MEN1KMT2AMAPTALDH1A1RECQL
SCHEMBL2080494 0.74 MEN1 (0.82) MEN1KMT2APOLBUSP2GALK1
SCHEMBL2080496 0.74 MEN1 (0.82) MEN1KMT2APOLBUSP2GALK1
SCHEMBL13082002 0.72 KMT2A (0.51) MEN1KMT2APOLBMAPT
SCHEMBL8290402 0.71 MEN1 (0.42) MEN1KMT2AUSP2MAPTMAPK1
SCHEMBL13081954 0.70 PLG (0.49) MEN1KMT2APOLBUSP2MAPT
SCHEMBL12010971 0.69 MEN1 (1.00) MEN1KMT2APOLBUSP2GALK1

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-2005041951-A2 RHODANINE DERIVATIVES FOR USE AS ANTIVIRAL AGENTS RIGEL PHARMACEUTICALS, INC. (US) 2005-05-12 WO disclosed