SCHEMBL30281370

SCHEMBL30281370

NC(=O)c1ccnc(OCC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ OPRK1 P41145 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ JMJD6 Q6NYC1 1/20 0.40
▸ KDM4B O94953 1/20 0.39
▸ KDM5C P41229 1/20 0.39
▸ KDM5B Q9UGL1 1/20 0.39
▸ MAOB P27338 3/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ SYK P43405 2/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ MRGPRX4 Q96LA9 1/20 0.37

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
SCHEMBL796410 0.86 L3MBTL1 (0.60) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL2713663 0.84 EPHX2 (0.52) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL30403546 0.84 EPHX2 (0.52) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL28864180 0.82 EPHX2 (0.48) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL13875980 0.82 EPHX2 (0.50) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL31191107 0.82 EPHX2 (0.53) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL27913659 0.82 EPHX2 (0.50) EPHX2L3MBTL1POLBMAPK1MAPT
SCHEMBL20916908 0.81 ABL1 (0.42) HDAC1HDAC6MAPK1MAPTOPRK1
SCHEMBL31696416 0.81 ABL1 (0.42) HDAC1HDAC6MAPK1MAPTOPRK1
Nitrous Acid SCHEMBL28864182 0.81 L3MBTL1 (0.55) EPHX2L3MBTL1POLBMAPK1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 — — EP disclosed
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