SCHEMBL9380958

SCHEMBL9380958

COc1cc2c(cc1OC)C(Cl)N1CCCCCC1=N2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
DPP4 P27487 4/20 0.36
ACHE P22303 4/20 0.36
TRPV1 Q8NER1 1/20 0.34
MEN1 O00255 1/20 0.33
PSMD14 O00487 1/20 0.33
ALPG P10696 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
NR1I2 O75469 1/20 0.33
MAOA P21397 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL9380160 0.82 ACHE (0.38) ACHESMN1; SMN2
SCHEMBL9381896 0.79 KMT2A (0.35) ALDH1A1DPP4MEN1PSMD14ALPG
SCHEMBL9383035 0.79 KLK7 (0.36) ALDH1A1MEN1PSMD14ALPGKMT2A
SCHEMBL9380132 0.77 ACHE (0.39) ALDH1A1ACHESMN1; SMN2
SCHEMBL9380278 0.77 ACHE (0.40) ACHE
SCHEMBL9379110 0.75 ACHE (0.39) ALDH1A1ACHESMN1; SMN2
SCHEMBL9380948 0.75 ACHE (0.39) ACHESMN1; SMN2LMNA
SCHEMBL9381591 0.75 ACHE (0.39) ACHESMN1; SMN2
SCHEMBL9380862 0.73 ACHE (0.47) ALDH1A1ACHEMEN1KMT2ASMN1; SMN2
SCHEMBL8969158 0.69 ACHE (0.57) ALDH1A1ACHEMEN1KMT2ALMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed