SCHEMBL8288292

SCHEMBL8288292

O=C1/C(=C/C2=CCC(c3ccccc3Cl)O2)SC(=S)N1Cc1ccco1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALDH1A1 P00352 6/20 0.52
MAPK1 P28482 6/20 0.52
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
MEN1 O00255 12/20 0.48
KMT2A Q03164 12/20 0.48
MAPT P10636 8/20 0.48
RAB9A P51151 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 6/20 0.48
ALOX12 P18054 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
RECQL P46063 2/20 0.48

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
SCHEMBL8288295 0.88 MEN1 (0.55) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL13766517 0.80 MAPT (0.45) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL8289216 0.72 PIM1 (0.55) CRHBPCRHR2ALDH1A1MEN1KMT2A
SCHEMBL3897074 0.72 MAP3K5 (0.68) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL3897077 0.72 MAP3K5 (0.68) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL26458941 0.71 CRHBP (1.00) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL8289161 0.71 MEN1 (0.56) ALDH1A1MAPK1MEN1KMT2AMAPT
SCHEMBL23036889 0.69 ALDH1A1 (0.68) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL8289215 0.69 ALDH1A1 (0.49) CRHBPCRHR2ALDH1A1MAPK1CYP1A2
SCHEMBL8738469 0.69 ALDH1A1 (1.00) CRHBPCRHR2ALDH1A1MAPK1CYP1A2

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