SCHEMBL8968279

SCHEMBL8968279

Cc1cccc2nc3n(c(=N)c12)CCCCC3

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.50
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 3/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
CYP1A2 P05177 1/20 0.40
CFTR P13569 1/20 0.40
ALOX15 P16050 1/20 0.40
HKDC1 Q2TB90 1/20 0.40

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
SCHEMBL8970467 0.99 ACHE (0.48) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8968622 0.84 ACHE (0.51) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8968889 0.83 ACHE (0.50) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8969029 0.83 ACHE (0.50) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8968447 0.83 POLB (0.58) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8969605 0.82 ACHE (0.48) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8968557 0.82 POLB (0.56) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8969618 0.81 LMNA (0.51) ACHELMNANPC1RAB9AALDH1A1
SCHEMBL8968724 0.81 ACHE (0.50) ACHELMNANPC1RAB9AKMT2A
SCHEMBL8968918 0.80 ACHE (0.47) ACHELMNANPC1RAB9AKMT2A

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