SCHEMBL7549327

SCHEMBL7549327

O=C1CCCc2[nH]c3ccc(Cl)cc3c21.O=C1CCCc2c1c1cc(Cl)ccc1n2Cc1ccc(F)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.56
PTGS2 P35354 4/20 0.56
HDAC1 Q13547 2/20 0.54
HDAC6 Q9UBN7 2/20 0.54
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAP3K14 Q99558 2/20 0.38
DYRK1A Q13627 1/20 0.38
MDM4 O15151 1/20 0.37
MDM2 Q00987 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL6926059 0.89 PTGS1 (0.67) PTGS1PTGS2HDAC1HDAC6KDM4E
SCHEMBL6923513 0.81 HDAC1 (0.76) PTGS1PTGS2HDAC1HDAC6LMNA
SCHEMBL6925477 0.79 PTGS1 (0.65) PTGS1PTGS2HDAC1HDAC6KDM4E
SCHEMBL2301312 0.78 LMNA (0.60) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL6920465 0.77 HDAC1 (0.64) PTGS1PTGS2HDAC1HDAC6KDM4E
SCHEMBL6921299 0.74 HDAC1 (0.69) PTGS1PTGS2HDAC1HDAC6MAPT
SCHEMBL6921570 0.73 DYRK1A (0.46) KDM4ELMNAGAAALDH1A1HPGD
SCHEMBL5794392 0.73 ALDH1A1 (0.66) PTGS1PTGS2HDAC1HDAC6KDM4E
SCHEMBL14894319 0.72 HDAC1 (0.79) PTGS1PTGS2HDAC1HDAC6KDM4E
SCHEMBL7115322 0.71 LMNA (0.51) KDM4ELMNAGAAMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1210329-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2002-06-05 EP disclosed
WO-2001017963-A2 AMINOALKOXY CARBAZOLES AND THEIR USE AS 5-HT LIGANDS PHARMACIA & UPJOHN COMPANY (US) 2001-03-15 WO disclosed