SCHEMBL30573525

SCHEMBL30573525

O=C(Nc1ccc(F)cc1)c1cncc(C(F)(F)F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ USP36 Q9P275 10/20 0.62
▸ ABL1 P00519 1/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ HDAC3 O15379 1/20 0.52
▸ HDAC8 Q9BY41 1/20 0.52
▸ HDAC6 Q9UBN7 1/20 0.52
▸ SCN10A Q9Y5Y9 1/20 0.52
▸ CHRNB2 P17787 1/20 0.52
▸ CHRNB4 P30926 1/20 0.52
▸ CHRNA3 P32297 1/20 0.52
▸ CHRNA4 P43681 1/20 0.52
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KCNQ3 O43525 1/20 0.51
▸ KCNQ2 O43526 1/20 0.51
▸ KCNE1 P15382 1/20 0.51
▸ KCNQ1 P51787 1/20 0.51
▸ PTGS1 P23219 1/20 0.50

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
SCHEMBL29737572 0.81 MEN1 (0.68) USP36MEN1KMT2ANPC1RAB9A
SCHEMBL792186 0.81 MEN1 (0.68) USP36MEN1KMT2ANPC1RAB9A
SCHEMBL14992382 0.79 HTT (0.73) MEN1KMT2ANPC1RAB9A
SCHEMBL30739967 0.79 LMNA (0.78) MEN1KMT2ANPC1RAB9AKCNQ3
SCHEMBL1409100 0.79 BRAF (0.55) USP36ABL1
SCHEMBL29921719 0.78 BRAF (0.54) USP36ABL1
SCHEMBL29071356 0.78 BRAF (0.54) USP36ABL1
SCHEMBL24118075 0.77 USP36 (0.45) USP36ABL1
SCHEMBL21504265 0.77 IDO1 (0.64) USP36
SCHEMBL24600061 0.77 USP36 (1.00) USP36

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-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 — — EP disclosed
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