SCHEMBL8976069

SCHEMBL8976069

Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c(C(=O)O)c2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 14/20 0.72
AKR1C2 P52895 14/20 0.72
MAPT P10636 3/20 0.60
KDM4E B2RXH2 1/20 0.60
NPC1 O15118 1/20 0.60
GAA P10253 1/20 0.60
GFER P55789 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
DHODH Q02127 3/20 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
SCHEMBL17082611 0.94 AKR1C3 (0.65) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL9593414 0.91 AKR1C3 (0.74) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL936023 0.87 AKR1C3 (0.69) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL17082614 0.86 AKR1C3 (0.56) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL9593591 0.86 AKR1C3 (0.79) AKR1C3AKR1C2MAPTGFERSMN1; SMN2
SCHEMBL6601352 0.86 AKR1C3 (0.66) AKR1C3AKR1C2MAPTKDM4EGAA
SCHEMBL11417902 0.85 AKR1C3 (0.67) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL17190218 0.84 AKR1C3 (0.54) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL9409077 0.84 AKR1C3 (0.64) AKR1C3AKR1C2MAPTKDM4ENPC1
SCHEMBL26865928 0.83 AKR1C3 (0.64) AKR1C3AKR1C2MAPTKDM4ENPC1

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-0558511-B1 METHOD OF PREPARING 2,5-DI(PHENYLAMINO)TEREPHTHALIC ACID AND ITS DIALKYL ESTERS AS HIGH-PURITY PRODUCTS HOECHST AG (DE) 1996-04-17 EP disclosed
US-5347038-A Starting material for quinacridone pigments, pollution control, from succinic acid diester and aniline HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed
EP-0558511-A1 METHOD OF PREPARING 2,5-DI(PHENYLAMINO)TEREPHTHALIC ACID AND ITS DIALKYL ESTERS AS HIGH-PURITY PRODUCTS. HOECHST AG (DE) 1993-09-08 EP disclosed
WO-1992009558-A1 METHOD OF PREPARING 2,5-DI(PHENYLAMINO)TEREPHTHALIC ACID AND ITS DIALKYL ESTERS AS HIGH-PURITY PRODUCTS HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-11 WO disclosed