SCHEMBL22653355

SCHEMBL22653355

CC(=Cc1ccc(/N=N/c2ccccc2)cc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.69
▸ MAPT P10636 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ TRPA1 O75762 1/20 0.48
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ TBXAS1 P24557 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL21830378 0.85 AKR1C3 (0.62) AKR1C3MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL23202815 0.85 AKR1C3 (0.62) AKR1C3MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL16568719 0.82 AKR1C3 (1.00) AKR1C3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL581982 0.82 AKR1C3 (1.00) AKR1C3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL37034 0.82 AKR1C3 (1.00) AKR1C3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL41906 0.82 AKR1C3 (1.00) AKR1C3RAB9ANPC1SMN1; SMN2HTT
SCHEMBL2462984 0.82 AKR1C3 (0.82) AKR1C3L3MBTL1HTTTBXAS1ALDH1A1
SCHEMBL2462983 0.82 AKR1C3 (0.82) AKR1C3L3MBTL1HTTTBXAS1ALDH1A1
SCHEMBL28036037 0.82 AKR1C3 (0.46) AKR1C3MAPTRAB9ANPC1SMN1; SMN2
Ammonia Solution, Strong SCHEMBL6327037 0.81 AKR1C3 (0.95) AKR1C3RAB9ANPC1SMN1; SMN2HTT

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
EP-3861039-B1 HYDROGEL COMPOSITIONS OPHTALMIC CIE (FR) 2023-11-01 — — EP claimed
EP-3424688-B1 METHOD FOR MANUFACTURING BLUE LIGHT-BLOCKING SOFT CONTACT LENS, AND SOFT CONTACT LENS MANUFACTURED BY USING SAME MEDIOS CO LTD (KR) 2020-11-18 — — EP claimed
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