SCHEMBL9198151

SCHEMBL9198151

CC(C)OC(=O)c1cc(NC(=S)c2ccccc2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.54
SMN1; SMN2 Q16637 6/20 0.54
LMNA P02545 6/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
HTT P42858 3/20 0.51
ALDH1A1 P00352 5/20 0.51
ALOX12 P18054 3/20 0.51
CASR P41180 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 1/20 0.46
HTR1E P28566 1/20 0.46
S1PR3 Q99500 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
SMO Q99835 1/20 0.45

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
SCHEMBL9198085 0.89 SMN1; SMN2 (0.67) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6362857 0.86 LMNA (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9198195 0.83 LMNA (0.49) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8929781 0.80 HPGD (0.58) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9202516 0.80 MAPT (0.52) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6362855 0.79 LMNA (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9203140 0.79 LMNA (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL29450678 0.79 LMNA (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL8930039 0.79 DHODH (0.56) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9201876 0.78 LMNA (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A

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 3 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