SCHEMBL18826389

SCHEMBL18826389

NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(F)c2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 8/20 1.00
▸ KDM4E B2RXH2 5/20 1.00
▸ ALDH1A1 P00352 5/20 1.00
▸ GAA P10253 5/20 1.00
▸ MAPT P10636 5/20 1.00
▸ ATM Q13315 4/20 1.00
▸ HPGD P15428 3/20 1.00
▸ HTT P42858 1/20 1.00
▸ CA2 P00918 10/20 0.79
▸ CA1 P00915 9/20 0.79
▸ GLA P06280 3/20 0.79
▸ CFTR P13569 1/20 0.79
▸ GOPC Q9HD26 1/20 0.79
▸ LMNA P02545 1/20 0.78
▸ MMP2 P08253 3/20 0.76
▸ MMP9 P14780 3/20 0.76
▸ CA12 O43570 1/20 0.68
▸ CA9 Q16790 1/20 0.68
▸ PTGS2 P35354 1/20 0.68
▸ ACHE P22303 1/20 0.67

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
SCHEMBL14484122 0.89 CA1 (1.00) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826377 0.87 L3MBTL1 (1.00) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826372 0.87 CA2 (0.79) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826392 0.87 L3MBTL1 (1.00) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826383 0.84 PTGS2 (0.85) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL5858023 0.81 PTGS1 (0.72) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826388 0.81 CA1 (0.91) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826376 0.81 CA1 (0.91) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL18826375 0.81 CA1 (0.91) L3MBTL1KDM4EALDH1A1GAAMAPT
SCHEMBL15197339 0.80 MMP2 (0.74) L3MBTL1KDM4EALDH1A1GAAMAPT

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-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
US-9642835-B2 Modulators of GTPase and use in relevant treatment STC.UNM (US) 2017-05-09 — — US disclosed
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