SCHEMBL11423229

SCHEMBL11423229

O=C(O)c1ccc(C=Nc2ccccc2F)cc1C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.45
▸ KDM4E B2RXH2 8/20 0.45
▸ HPGD P15428 7/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ GAA P10253 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PBRM1 Q86U86 1/20 0.39

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
SCHEMBL11423226 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11409709 0.84 PTPN1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11409711 0.84 PTPN1 (0.46) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11423177 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11423175 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11411285 0.79 UNG (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11404211 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11404208 0.79 ALDH1A1 (0.51) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11418922 0.79 DHODH (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL11418910 0.79 DHODH (0.48) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA

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
US-4200648-A INFLAMMATION BY ADMINISTERING A BENZYLIDENEANILINE DERIVATIVE WILLIAM H. RORER, INC. (US) 1980-04-29 — — US disclosed
US-4198349-A ANTIINFLAMMATORY, TOPICAL WILLIAM H. RORER, INC. (US) 1980-04-15 — — US disclosed
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