SCHEMBL8969076

SCHEMBL8969076

Cc1cc2nc3n(c(=N)c2cc1C)CCCCC3

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.63
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 3/20 0.49
LMNA P02545 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL8969117 0.83 ACHE (0.71) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8968338 0.83 SMN1; SMN2 (0.71) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8968607 0.82 ACHE (0.71) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8969409 0.82 ACHE (0.63) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8968476 0.82 ACHE (0.59) ACHESMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL8968638 0.81 ACHE (0.69) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8968576 0.81 SMN1; SMN2 (0.69) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8969258 0.81 ACHE (0.60) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8969447 0.81 ACHE (0.68) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8968881 0.77 ACHE (0.80) ACHESMN1; SMN2ALDH1A1LMNAKMT2A

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