SCHEMBL3464460

SCHEMBL3464460

[CH2]CNc1nc2cc(F)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.56
▸ MAPT P10636 6/20 0.47
▸ KDM4E B2RXH2 5/20 0.47
▸ MEN1 O00255 5/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ KMT2A Q03164 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ TDP1 Q9NUW8 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ NPC1 O15118 8/20 0.45
▸ RAB9A P51151 7/20 0.45
▸ SMN1; SMN2 Q16637 5/20 0.45
▸ HPGD P15428 3/20 0.45
▸ POLB P06746 3/20 0.45
▸ MCL1 Q07820 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ STAT1 P42224 1/20 0.45

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
SCHEMBL4584874 0.78 DYRK1A (0.65) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL22833881 0.78 MAPT (0.75) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL29379319 0.78 MAPT (0.75) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL7219825 0.75 DYRK1A (0.45) DYRK1AKMT2AMAPK1GFERNPC1
SCHEMBL9335490 0.74 RAB9A (0.50) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL27815164 0.72 DYRK1A (0.74) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL6359608 0.72 DYRK1A (0.72) DYRK1AMEN1ALDH1A1KMT2AMAPK1
SCHEMBL2684071 0.72 DYRK1A (0.68) DYRK1AKDM4EALDH1A1MAPK1GFER
SCHEMBL5572792 0.72 DYRK1A (0.49) DYRK1AMAPTKDM4EMEN1ALDH1A1
SCHEMBL7848214 0.71 NPC1 (0.64) DYRK1AMAPTKDM4EMEN1ALDH1A1

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
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 — — WO disclosed
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