SCHEMBL5165083

SCHEMBL5165083

O=c1[nH]nc(CNc2ccc(OC(F)(F)F)cc2)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ MAPT P10636 5/20 0.72
▸ GAA P10253 2/20 0.72
▸ KMT2A Q03164 4/20 0.65
▸ MEN1 O00255 2/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ THRB P10828 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ BLM P54132 1/20 0.65
▸ HIF1A Q16665 1/20 0.49
▸ LMNA P02545 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.47
▸ AR P10275 2/20 0.46
▸ PARP1 P09874 2/20 0.46
▸ PRMT5 O14744 1/20 0.46
▸ ENPP1 P22413 1/20 0.43
▸ SERPINE1 P05121 1/20 0.43

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
SCHEMBL5164835 0.84 MAPT (0.77) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5161752 0.84 MAPT (1.00) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5165966 0.81 MAPT (0.78) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5160111 0.79 MAPT (0.75) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5160240 0.79 MAPT (1.00) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5163003 0.76 MAPT (1.00) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL5162135 0.75 MAPT (0.68) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL12230698 0.74 SMN1; SMN2 (0.59) HTTSMN1; SMN2MAPTGAAPRMT5
SCHEMBL6326092 0.73 MAPT (0.61) HTTSMN1; SMN2MAPTGAAKMT2A
SCHEMBL6281157 0.72 MAPT (0.64) HTTSMN1; SMN2MAPTGAAKMT2A

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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