SCHEMBL5798013

SCHEMBL5798013

Cc1cccc(Cl)c1CNC(O)=S

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.49
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
GAA P10253 1/20 0.41
LMNA P02545 1/20 0.41
HDAC8 Q9BY41 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL5798053 0.89 AKR1B1 (0.47) P2RX7MEN1KMT2AMAPK1LMNA
SCHEMBL31737601 0.78 HDAC8 (0.48) P2RX7MAPK1GAAHDAC8CYP3A4
SCHEMBL5798009 0.78 P2RX7 (0.54) P2RX7MAPK1LMNAHDAC8CYP1A2
SCHEMBL5797623 0.76 LMNA (0.56) P2RX7MEN1KMT2ALMNA
SCHEMBL10061644 0.76 P2RX7 (0.44) P2RX7KMT2ALMNAHDAC8CYP3A4
SCHEMBL4926760 0.74 MAPT (0.47) P2RX7MEN1KMT2AMAPK1GAA
SCHEMBL11733277 0.73 P2RX7 (0.53) P2RX7MAPK1HDAC8CYP1A2CYP3A4
SCHEMBL9097988 0.72 P2RX7 (0.43) P2RX7MAPK1HDAC8CYP3A4
SCHEMBL9097991 0.72 KDM4E (0.47) P2RX7MEN1KMT2AHDAC8CYP1A2
SCHEMBL20360782 0.72 TAAR1 (0.43) P2RX7MEN1KMT2AGAALMNA

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-2006037468-A1 HIV REVERSE TRANSCRIPTASE INHIBITORS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-04-13 WO claimed