SCHEMBL5161752

SCHEMBL5161752

COc1ccc(NCc2n[nH]c(=O)c3ccccc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 1.00
▸ GAA P10253 4/20 1.00
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ HTT P42858 2/20 0.72
▸ KMT2A Q03164 4/20 0.70
▸ MEN1 O00255 2/20 0.70
▸ KDM4E B2RXH2 2/20 0.70
▸ ALDH1A1 P00352 2/20 0.70
▸ THRB P10828 1/20 0.70
▸ RECQL P46063 1/20 0.70
▸ BLM P54132 1/20 0.70
▸ HIF1A Q16665 2/20 0.55
▸ AR P10275 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ TDP1 Q9NUW8 2/20 0.50
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ CYP2C19 P33261 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP2D6 P10635 1/20 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
SCHEMBL5164835 0.87 MAPT (0.77) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL5165966 0.84 MAPT (0.78) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL5165083 0.84 HTT (1.00) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL5160240 0.82 MAPT (1.00) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL5160111 0.82 MAPT (0.75) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL581787 0.80 AR (0.70) MAPTGAASMN1; SMN2ARLMNA
SCHEMBL5162135 0.78 MAPT (0.68) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL6281157 0.78 MAPT (0.64) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL5163926 0.73 MAPT (0.64) MAPTGAASMN1; SMN2HTTKMT2A
SCHEMBL6326092 0.73 MAPT (0.61) MAPTGAASMN1; SMN2HTTKMT2A

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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