SCHEMBL9201230

SCHEMBL9201230

CC(C)OC(=O)c1cc(NC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)O)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.48
LMNA P02545 6/20 0.48
KMT2A Q03164 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
MEN1 O00255 4/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HIF1A Q16665 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HTT P42858 3/20 0.45
ALDH1A1 P00352 4/20 0.43
ALOX12 P18054 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CASR P41180 1/20 0.42

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
SCHEMBL9198278 0.86 MAPT (0.46) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9198085 0.81 SMN1; SMN2 (0.67) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL6362857 0.81 LMNA (0.52) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL8929781 0.80 HPGD (0.58) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL10841541 0.80 NPSR1 (0.57) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL6362855 0.79 LMNA (0.50) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9199855 0.79 KMT2A (0.50) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL7814149 0.79 NPC1 (0.59) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL9198195 0.78 LMNA (0.49) MAPTLMNAKMT2ASMN1; SMN2MEN1
SCHEMBL9201214 0.78 NPC1 (0.54) MAPTLMNAKMT2ASMN1; SMN2MEN1

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 5 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 disclosed
US-5268389-A Containing a benzene ring UNIROYAL CHEMICAL COMPANY, INC. (US) 1993-12-07 US 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
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