SCHEMBL11418731

SCHEMBL11418731

Cc1c(Cl)cccc1N=Cc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ LMNA P02545 4/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSP90AA1 P07900 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ TLR2 O60603 1/20 0.46
▸ TLR1 Q15399 1/20 0.46
▸ TLR6 Q9Y2C9 1/20 0.46
▸ MAPT P10636 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ PLA2G1B P04054 2/20 0.40
▸ ATG4B Q9Y4P1 2/20 0.40
▸ MRGPRX4 Q96LA9 1/20 0.40
▸ TTR P02766 2/20 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
SCHEMBL11418727 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11442228 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11442227 0.90 ALDH1A1 (0.44) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11410278 0.84 TLR2 (0.55) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11404742 0.84 TLR2 (0.55) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11404906 0.80 DHODH (0.58) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11404909 0.80 DHODH (0.58) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11415326 0.80 TLR2 (0.53) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11415330 0.80 TLR2 (0.53) ALDH1A1MEN1KMT2ALMNAHPGD
SCHEMBL11408874 0.79 MEN1 (0.45) ALDH1A1MEN1KMT2AHPGDSMN1; SMN2

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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