SCHEMBL5693236

SCHEMBL5693236

Cc1ccc(Nc2c(C(=O)O)ccc(C(=O)O)c2Nc2ccc(C)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 3/20 0.55
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
RAPGEF4 Q8WZA2 1/20 0.48
HPGD P15428 1/20 0.48
XDH P47989 1/20 0.48
SLC22A12 Q96S37 1/20 0.48
MAPT P10636 3/20 0.46
NPC1 O15118 3/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
GFER P55789 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KDM1A O60341 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL2406195 0.81 MAPT (0.62) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL8810299 0.80 MEN1 (0.54) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL9592992 0.79 AKR1C3 (0.72) SMN1; SMN2AKR1C3AKR1C2XDHSLC22A12
SCHEMBL8807984 0.79 AKR1C3 (0.69) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL13064978 0.79 AKR1C2 (0.49) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL936023 0.78 AKR1C3 (0.69) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL9409077 0.78 AKR1C3 (0.64) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL4249837 0.76 FABP4 (0.71) MEN1KMT2AAKR1C3AKR1C2CYP1A2
SCHEMBL9593414 0.76 AKR1C3 (0.74) SMN1; SMN2MEN1KMT2AAKR1C3AKR1C2
SCHEMBL3237539 0.75 AKR1C3 (0.67) SMN1; SMN2AKR1C3AKR1C2HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0805188-B1 Incorporation of aromatic polycyclic compounds during quinacridone preparation processes SUN CHEMICAL CORP (US) 2006-05-31 EP disclosed
EP-0751105-A2 Process for the oxidation of organic compounds BAYER AG (DE) 1997-01-02 EP disclosed
EP-0363756-A2 Method for the preparation of 2,5-diarylamino-terephthalic acids BAYER AG (DE) 1990-04-18 EP disclosed
EP-0057873-B1 PROCESS FOR THE PREPARATION OF DIMETHYL-SUCCINYL SUCCINATE, THE SODIUM SALT THEREOF, DIANILINODIHYDROTEREPHTHALIC ACIDS, THE DIMETHYL ESTERS AND SALTS THEREOF, AND DIANILINOTEREPHTHALIC ACIDS, THE DIMETHYL ESTERS AND SALTS THEREOF BAYER AG (DE) 1984-07-25 EP disclosed
US-4435589-A Process for the preparation of dimethyl succinylosuccinate, the disodium salt thereof, dianilinodihydroterephthalic acids, the dimethyl esters and salts thereof, and dianilinoterephthalic acids, and the dimethyl esters and salts thereof BAYER AKTIENGESELLSCHAFT (DE) 1984-03-06 US disclosed
EP-0057873-A1 Process for the preparation of dimethyl-succinyl succinate, the sodium salt thereof, dianilinodihydroterephthalic acids, the dimethyl esters and salts thereof, and dianilinoterephthalic acids, the dimethyl esters and salts thereof BAYER AG (DE) 1982-08-18 EP disclosed