SCHEMBL11423177

SCHEMBL11423177

O=C(O)c1ccc(C=Nc2ccccc2Cl)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
▸ LMNA P02545 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ DHODH Q02127 1/20 0.43
▸ AKR1C3 P42330 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ GAA P10253 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PBRM1 Q86U86 1/20 0.39
▸ PTGS1 P23219 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
SCHEMBL11423175 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11409711 0.84 PTPN1 (0.46) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11409709 0.84 PTPN1 (0.46) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11423226 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11423229 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11409847 0.80 DHODH (0.64) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11409867 0.79 DHODH (0.48) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11409879 0.79 DHODH (0.48) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11416848 0.77 DHODH (0.44) ALDH1A1KDM4EHPGDLMNAKMT2A
SCHEMBL11416851 0.77 DHODH (0.44) ALDH1A1KDM4EHPGDLMNAKMT2A

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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