SCHEMBL8968425

SCHEMBL8968425

O=c1c2c(Cl)cc(Cl)cc2nc2n1CCCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
HDAC6 Q9UBN7 1/20 0.55
POLB P06746 2/20 0.51
ALDH1A1 P00352 8/20 0.50
SMN1; SMN2 Q16637 5/20 0.50
ACHE P22303 2/20 0.50
RAB9A P51151 8/20 0.48
NPC1 O15118 7/20 0.48
USP2 O75604 3/20 0.47
ALOX15 P16050 3/20 0.47
LMNA P02545 3/20 0.47
HSD17B10 Q99714 3/20 0.47
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
TP53 P04637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
BCHE P06276 1/20 0.47
CFTR P13569 1/20 0.47
HKDC1 Q2TB90 1/20 0.47

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
SCHEMBL8969895 0.94 ALDH1A1 (0.52) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL8968573 0.83 POLB (0.65) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL8968470 0.83 ACHE (0.64) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL8969554 0.82 ACHE (0.61) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL6922778 0.80 MAPT (0.45) MEN1KMT2AALDH1A1SMN1; SMN2ACHE
SCHEMBL8969198 0.78 ACHE (0.71) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL5507502 0.77 ALDH1A1 (0.60) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL8968731 0.77 ACHE (0.56) POLBALDH1A1ACHERAB9ANPC1
SCHEMBL8968275 0.75 ALDH1A1 (0.71) MEN1KMT2AHDAC6POLBALDH1A1
SCHEMBL12040552 0.75 SPR (0.34) RAB9ANPC1CYP1A2CYP3A4CYP2C19

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 3 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
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