SCHEMBL9199855

SCHEMBL9199855

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
TDP1 Q9NUW8 1/20 0.50
LMNA P02545 6/20 0.45
POLB P06746 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HTR1E P28566 2/20 0.41
S1PR3 Q99500 2/20 0.41
AURKA O14965 1/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK3 Q00526 1/20 0.40
CSF1R P07333 1/20 0.39
AGPAT2 O15120 1/20 0.39

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
SCHEMBL9201876 0.90 LMNA (0.43) KMT2AMEN1TDP1LMNAPOLB
SCHEMBL9201214 0.83 NPC1 (0.54) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9199828 0.82 AKR1C3 (0.56) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9205677 0.80 SMN1; SMN2 (0.57) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL27408756 0.79 LMNA (0.43) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9201230 0.79 MAPT (0.48) KMT2AMEN1TDP1LMNAPOLB
SCHEMBL8929781 0.79 HPGD (0.58) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL9202516 0.78 MAPT (0.52) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL6362855 0.77 LMNA (0.50) KMT2AMEN1LMNAPOLBALDH1A1
SCHEMBL8930039 0.77 DHODH (0.56) KMT2AMEN1LMNAPOLBALDH1A1

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 7 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
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