SCHEMBL8969429

SCHEMBL8969429

OC1c2c(Cl)cc(Cl)cc2N=C2CCCCCN21

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.56
ACHE P22303 13/20 0.45
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL8969519 0.78 KLK7 (0.49) KLK7ACHE
SCHEMBL4448665 0.70 ACHE (0.66) KLK7ACHESMN1; SMN2LMNANPC1
SCHEMBL29869033 0.70 ACHE (0.66) KLK7ACHESMN1; SMN2LMNANPC1
Hydrochloric Acid SCHEMBL8968390 0.69 ACHE (0.64) KLK7ACHESMN1; SMN2LMNANPC1
SCHEMBL8969421 0.69 ACHE (0.63) KLK7ACHESMN1; SMN2LMNANPC1
SCHEMBL8969197 0.69 KLK7 (0.42) KLK7ACHE
SCHEMBL9382116 0.69 ACHE (0.52) KLK7ACHEMAPK1SMN1; SMN2HTT
SCHEMBL9381904 0.68 ACHE (0.51) KLK7ACHEMAPK1SMN1; SMN2HTT
SCHEMBL9382150 0.68 ACHE (0.51) KLK7ACHEMAPK1SMN1; SMN2
SCHEMBL8969901 0.67 ACHE (0.69) KLK7ACHESMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US claimed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP claimed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO claimed
US-5486512-A LEARNING ENHANCEMENT WARNER-LAMBERT COMPANY (US) 1996-01-23 US disclosed
EP-0597956-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1994-05-25 EP disclosed
WO-1993003034-A1 QUINAZOLINE DERIVATIVES AS ACETYLCHOLINESTERASE INHIBITORS WARNER-LAMBERT COMPANY (US) 1993-02-18 WO disclosed