SCHEMBL8968931

SCHEMBL8968931

N=c1c2ccccc2nc2n1CCC2Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.47
BCHE P06276 2/20 0.47
CCR3 P51677 5/20 0.42
KDM4E B2RXH2 4/20 0.37
HSD17B10 Q99714 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
ATM Q13315 1/20 0.37
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
CYP1A2 P05177 1/20 0.34
CFTR P13569 1/20 0.34
ALOX15 P16050 1/20 0.34
HKDC1 Q2TB90 1/20 0.34
GOPC Q9HD26 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL8969391 0.82 ACHE (0.47) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL8970476 0.82 ACHE (0.47) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL3909641 0.82 ACHE (0.69) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL8970441 0.70 CCR3 (0.40) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL8969395 0.68 ACHE (0.38) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL3385589 0.67 ACHE (0.67) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL9541773 0.66 MEN1 (0.66) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL9387899 0.65 MEN1 (0.68) ACHEBCHEKDM4EHSD17B10L3MBTL1
SCHEMBL8969643 0.64 CCR3 (0.37) ACHEBCHECCR3KDM4EHSD17B10
SCHEMBL8969328 0.64 CCR3 (0.38) ACHEBCHECCR3KDM4EHSD17B10

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