SCHEMBL8810299

SCHEMBL8810299

O=C(O)c1ccc(C(=O)O)c(Nc2ccc(Cl)cc2)c1Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
RAB9A P51151 1/20 0.54
DHODH Q02127 1/20 0.54
AKR1C3 P42330 2/20 0.54
AKR1C2 P52895 2/20 0.54
GRIK1 P39086 6/20 0.51
MAPT P10636 2/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
GAA P10253 1/20 0.50
ALOX12 P18054 1/20 0.50
CYP2C19 P33261 1/20 0.50
TSHR P16473 2/20 0.48
CASP1 P29466 1/20 0.48
XDH P47989 1/20 0.48

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
SCHEMBL28277826 0.81 ACLY (0.55) MEN1KMT2ASMN1; SMN2RAB9ADHODH
SCHEMBL2406195 0.81 MAPT (0.62) MEN1KMT2ASMN1; SMN2DHODHAKR1C3
SCHEMBL27837898 0.80 AKR1C3 (0.52) MEN1KMT2ASMN1; SMN2RAB9ADHODH
SCHEMBL5693236 0.80 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2RAB9AAKR1C3
SCHEMBL31500236 0.79 AKR1C3 (0.70) MEN1KMT2ASMN1; SMN2AKR1C3AKR1C2
SCHEMBL1415416 0.78 AKR1C3 (0.67) MEN1KMT2ASMN1; SMN2RAB9ADHODH
SCHEMBL27334845 0.78 AKR1C3 (0.54) MEN1KMT2ASMN1; SMN2RAB9ADHODH
SCHEMBL16737117 0.77 MAPT (0.51) MEN1KMT2ASMN1; SMN2RAB9ADHODH
SCHEMBL8807984 0.76 AKR1C3 (0.69) MEN1KMT2ASMN1; SMN2RAB9AAKR1C3
SCHEMBL4246580 0.76 FABP4 (0.71) MEN1KMT2ASMN1; SMN2RAB9ADHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101448780-B 2, 5-di (methoxyanilino) terephthalic acid polymorphs and quinacridones obtained therefrom SUN CHEMICAL CORP 2014-06-18 CN disclosed
EP-0751105-A2 Process for the oxidation of organic compounds BAYER AG (DE) 1997-01-02 EP disclosed
US-4981997-A Process for the preparation of 2,5-diarylaminoterephthalic acids BAYER AKTIENGESELLSCHAFT (DE) 1991-01-01 US disclosed