SCHEMBL8968642

SCHEMBL8968642

Cc1cc(C)c2nc3n(c(=N)c2c1)CCCCC3

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
THRB P10828 3/20 0.46
LMNA P02545 5/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.38
GFER P55789 1/20 0.38
POLB P06746 1/20 0.37
PI4KA P42356 1/20 0.37
PI4K2B Q8TCG2 1/20 0.37
PI4K2A Q9BTU6 1/20 0.37
PI4KB Q9UBF8 1/20 0.37

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
SCHEMBL8968464 0.81 ACHE (0.50) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL11636458 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1THRBLMNAMAPT
SCHEMBL8968416 0.79 ACHE (0.48) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL8968609 0.79 ACHE (0.54) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL8968724 0.78 ACHE (0.50) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL8968338 0.78 SMN1; SMN2 (0.71) ACHESMN1; SMN2ALDH1A1LMNARAB9A
SCHEMBL8969076 0.77 ACHE (0.63) ACHESMN1; SMN2ALDH1A1LMNANPC1
SCHEMBL8968576 0.76 SMN1; SMN2 (0.69) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL8969618 0.75 LMNA (0.51) ACHESMN1; SMN2ALDH1A1THRBLMNA
SCHEMBL8969117 0.75 ACHE (0.71) ACHESMN1; SMN2ALDH1A1THRBLMNA

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