SCHEMBL9201876

SCHEMBL9201876

Cc1oc(C)c(C(=S)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.43
ALDH1A1 P00352 2/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 6/20 0.41
HTR1E P28566 2/20 0.41
S1PR3 Q99500 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALOX12 P18054 1/20 0.38
AURKA O14965 1/20 0.38
CCNE1 P24864 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL9199855 0.90 KMT2A (0.50) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL9202516 0.84 MAPT (0.52) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL9203140 0.81 LMNA (0.48) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL29450678 0.81 LMNA (0.48) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL9199828 0.80 AKR1C3 (0.56) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL9198195 0.79 LMNA (0.49) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL6362857 0.79 LMNA (0.52) LMNAALDH1A1POLBMAPTHTR1E
SCHEMBL29631618 0.79 MAPK1 (0.44) LMNAALDH1A1POLBMAPTRXFP1
SCHEMBL9198151 0.78 MAPT (0.54) LMNAALDH1A1MAPTHTR1ES1PR3
SCHEMBL9196778 0.76 KMT2A (0.53) LMNAALDH1A1MAPTRXFP1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP claimed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO claimed
EP-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP disclosed
EP-0497816-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN. UNIROYAL CHEMICAL LTD (CA) 1992-08-12 EP disclosed
WO-1991005761-A1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD./UNIROYAL CHEMICAL LTEE (CA) 1991-05-02 WO disclosed