SCHEMBL8969470

SCHEMBL8969470

N=c1c2cc(F)ccc2nc2n1CCCCC2

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.60
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
KDM4E B2RXH2 4/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BCHE P06276 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL8969578 0.89 ACHE (0.71) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968881 0.83 ACHE (0.80) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968338 0.83 SMN1; SMN2 (0.71) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968581 0.83 ACHE (0.60) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968671 0.83 MEN1 (0.62) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968524 0.82 ACHE (0.58) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8969679 0.82 ACHE (0.78) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8968576 0.82 SMN1; SMN2 (0.69) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL5511724 0.82 ALDH1A1 (0.69) ACHESMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL9387899 0.80 MEN1 (0.68) ACHESMN1; SMN2ALDH1A1MEN1KMT2A

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-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed