SCHEMBL8968942

SCHEMBL8968942

Cc1ccc2c(=O)n3c(nc2c1)CCCCC3

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.80
SMN1; SMN2 Q16637 3/20 0.80
MEN1 O00255 1/20 0.66
KMT2A Q03164 1/20 0.66
HDAC6 Q9UBN7 1/20 0.66
RAB9A P51151 6/20 0.62
TP53 P04637 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
LMNA P02545 3/20 0.61
CYP2C19 P33261 1/20 0.61
NPC1 O15118 5/20 0.59
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
USP2 O75604 1/20 0.57
CYP1A2 P05177 1/20 0.57
BCHE P06276 1/20 0.57
CFTR P13569 1/20 0.57
ALOX15 P16050 1/20 0.57
ACHE P22303 1/20 0.57
HKDC1 Q2TB90 1/20 0.57

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
SCHEMBL31563002 0.94 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL17221115 0.94 SMN1; SMN2 (0.79) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL15865564 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL12059374 0.84 MEN1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL2053429 0.83 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL8969198 0.83 ACHE (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL2050608 0.83 MEN1 (0.66) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL8969117 0.83 ACHE (0.71) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL8968695 0.83 SMN1; SMN2 (0.60) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6
SCHEMBL12457528 0.83 SMN1; SMN2 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2AHDAC6

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