SCHEMBL11246642

SCHEMBL11246642

Clc1nc(NCCSCc2ccccc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 10/20 0.68
▸ PDE5A O76074 3/20 0.63
▸ PLAU P00749 2/20 0.46
▸ BCHE P06276 4/20 0.45
▸ ACHE P22303 4/20 0.45
▸ RAD52 P43351 1/20 0.44
▸ LMNA P02545 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ UBE2N P61088 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ RCE1 Q9Y256 1/20 0.43
▸ CASP6 P55212 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 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
SCHEMBL11244411 0.85 APP (0.62) APPPDE5ABCHEACHERAD52
SCHEMBL17799869 0.81 APP (1.00) APPPDE5ABCHEACHELMNA
SCHEMBL11264589 0.81 APP (0.63) APPPDE5ABCHEACHERAD52
SCHEMBL11246231 0.80 HTT (0.68) APPLMNAKDM4EMAPTKMT2A
SCHEMBL3113122 0.78 APP (1.00) APPPDE5ABCHEACHERAD52
SCHEMBL29388255 0.78 APP (1.00) APPPDE5ABCHEACHERAD52
SCHEMBL10839105 0.77 APP (0.70) APPPDE5ARAD52MAPTKMT2A
SCHEMBL4904310 0.77 APP (0.70) APPPDE5ABCHEACHEKDM4E
SCHEMBL30125140 0.77 APP (0.70) APPPDE5ARAD52MAPTKMT2A
SCHEMBL7337304 0.77 APP (0.70) APPPDE5ARAD52LMNAKDM4E

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-4323680-A 4-Aminoquinazoline compounds useful as agricultural fungicides SANKYO COMPANY LIMITED (JP) 1982-04-06 — — US disclosed
US-4213987-A 4-AMINOQUINAZOLINES SANKYO COMPANY LIMITED (JP) 1980-07-22 — — US disclosed
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