SCHEMBL8567023

SCHEMBL8567023

COc1ccc2nc(Sc3ccc(N)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.56
▸ APP P05067 4/20 0.47
▸ NQO1 P15559 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ POLB P06746 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ CYP19A1 P11511 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL8565253 0.83 NQO1 (0.50) NCF1NQO1ALDH1A1POLBSMN1; SMN2
SCHEMBL8559644 0.79 MAPT (0.53) APPPOLBSMN1; SMN2MEN1LMNA
SCHEMBL5188214 0.77 POLB (0.59) NCF1NQO1ALDH1A1POLBSMN1; SMN2
SCHEMBL15663471 0.75 KDM4E (0.49) ALDH1A1POLBSMN1; SMN2MEN1NPC1
SCHEMBL27200601 0.75 MAPT (0.49) APPALDH1A1POLBSMN1; SMN2MEN1
SCHEMBL3364517 0.74 NCF1 (0.65) NCF1APPNQO1ALDH1A1POLB
SCHEMBL3389504 0.73 KDM1A (0.53) NCF1ALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL1598487 0.73 NCF1 (1.00) NCF1NQO1ALDH1A1POLBSMN1; SMN2
SCHEMBL5786907 0.72 TDP1 (0.73) APPALDH1A1SMN1; SMN2MEN1NPC1
Hydrochloric Acid SCHEMBL27898424 0.72 NCF1 (0.96) NCF1NQO1ALDH1A1POLBSMN1; SMN2

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 — — US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 — — US disclosed
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