SCHEMBL5163003

SCHEMBL5163003

O=c1[nH]nc(CNc2cccc(C(F)(F)F)c2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ PKM P14618 1/20 0.61
▸ HTT P42858 2/20 0.61
▸ KMT2A Q03164 3/20 0.58
▸ GAA P10253 2/20 0.58
▸ KDM4E B2RXH2 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ RECQL P46063 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ AURKB Q96GD4 4/20 0.54
▸ LMNA P02545 2/20 0.51
▸ PARP1 P09874 1/20 0.51
▸ HIF1A Q16665 1/20 0.49
▸ AR P10275 2/20 0.49

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
SCHEMBL5165966 0.81 MAPT (0.78) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL12955563 0.79 PARP1 (0.65) MAPTSMN1; SMN2LMNAPARP1AR
SCHEMBL5163926 0.78 MAPT (0.64) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL5165083 0.76 HTT (1.00) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL5160111 0.74 MAPT (0.75) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL5160240 0.74 MAPT (1.00) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL6326092 0.73 MAPT (0.61) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL5605032 0.72 MAPT (0.62) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL10055021 0.72 NPSR1 (0.55) MAPTSMN1; SMN2HTTKMT2AGAA
SCHEMBL5161752 0.71 MAPT (1.00) MAPTSMN1; SMN2HTTKMT2AGAA

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-1231982-B1 USE OF PHTHALAZINE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ABBOTT GMBH & CO KG (DE) 2007-03-21 — — EP disclosed
US-6903098-B1 Use of phthalazine derivatives ABBOTT GMBH & CO. (DE) 2005-06-07 — — US disclosed
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