SCHEMBL8358588

SCHEMBL8358588

O=C(O)c1cn(Cc2ccccc2)c2ccc(Cl)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.62
L3MBTL1 Q9Y468 2/20 0.53
ADORA1 P30542 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 4/20 0.52
KDM4E B2RXH2 2/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
NPY1R P25929 1/20 0.52
NPY2R P49146 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL5544822 0.91 LMNA (0.73) LMNAALDH1A1SMN1; SMN2RXFP1
SCHEMBL3105145 0.89 SERPINE1 (0.59) LMNAL3MBTL1ADORA1ALDH1A1MAPK1
SCHEMBL27546953 0.86 L3MBTL1 (0.50) LMNAL3MBTL1ADORA1ALDH1A1MAPK1
SCHEMBL2003091 0.86 PLA2G2A (0.64) LMNAL3MBTL1ADORA1ALDH1A1MAPK1
SCHEMBL8358799 0.85 NR4A2 (0.53) LMNAL3MBTL1ALDH1A1MAPK1MAPT
SCHEMBL13621801 0.84 LMNA (0.68) LMNAL3MBTL1ADORA1ALDH1A1MAPK1
SCHEMBL1606606 0.83 LMNA (0.80) LMNAL3MBTL1ADORA1ALDH1A1MAPK1
SCHEMBL4941452 0.82 ICMT (0.70) LMNANPSR1HTTCYP1A2CYP2C9
SCHEMBL12485507 0.82 KDM4E (0.54) LMNAALDH1A1KDM4EHTTCNR1
SCHEMBL5544795 0.82 LMNA (0.73) LMNASMN1; SMN2RXFP1CNR2

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
US-5877202-A Indole derivatives useful to treat estrogen-related neoplasms and disorders AVENTISUB II INC. 1999-03-02 US disclosed
EP-0746544-B1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMA INC (US) 1998-09-09 EP disclosed
CN-1141627-A Indole derivatives for the treatment of estrogen-related tumors and diseases MERRELL DOW PHARMA (US) 1997-01-29 CN disclosed
EP-0746544-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1996-12-11 EP disclosed
WO-1995022524-A1 NOVEL INDOLE DERIVATIVES USEFUL TO TREAT ESTROGEN-RELATED NEOPLASMS AND DISORDERS MERRELL PHARMACEUTICALS INC. (US) 1995-08-24 WO disclosed