SCHEMBL9202940

SCHEMBL9202940

CC(C)OC(=O)c1cc(NC(=O)c2ccccc2F)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
NPC1 O15118 5/20 0.61
HPGD P15428 3/20 0.61
MAPT P10636 2/20 0.61
KMT2A Q03164 6/20 0.58
ALDH1A1 P00352 5/20 0.58
KDM4E B2RXH2 4/20 0.58
MEN1 O00255 4/20 0.55
TDP1 Q9NUW8 1/20 0.55
PNLIP P16233 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
PTPRC P08575 2/20 0.52
CTSL P07711 1/20 0.52
PTPN1 P18031 1/20 0.52
CTSS P25774 1/20 0.52
PTPN13 Q12923 1/20 0.52
LMNA P02545 3/20 0.51
GRM4 Q14833 1/20 0.51

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
SCHEMBL8930039 0.86 DHODH (0.56) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL9197072 0.85 F2R (0.55) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL9199976 0.85 MAPT (0.51) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL8930009 0.84 KCNK3 (0.60) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL27318187 0.84 PPARG (0.53) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL29376797 0.84 KCNK3 (0.60) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL9198085 0.84 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1MAPTKMT2A
SCHEMBL27315886 0.82 KMT2A (0.64) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL8929781 0.80 HPGD (0.58) RAB9ASMN1; SMN2NPC1HPGDMAPT
SCHEMBL4251978 0.80 NPC1 (0.71) RAB9ASMN1; SMN2NPC1HPGDMAPT

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 4 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
CN-1051036-A The treatment of HIV (human immunodeficiency virus) infections and in treatment used compound UNIROYAL CHEM CO INC (US) 1991-05-01 CN disclosed