SCHEMBL8968456

SCHEMBL8968456

COc1cc2nc3n(c(=N)c2cc1OC)C1CC2CC(CC3C2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
PDE3B Q13370 2/20 0.36
PDE3A Q14432 2/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 2/20 0.36
APAF1 O14727 1/20 0.36
HPGD P15428 1/20 0.36
UBE2N P61088 1/20 0.36
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.34
RAD52 P43351 1/20 0.34
CCR4 P51679 1/20 0.34
NTSR1 P30989 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL8969894 0.79 KDM4E (0.38) ACHEALDH1A1KDM4EMAPTSMN1; SMN2
SCHEMBL8969661 0.79 BCHE (0.34) ACHEALDH1A1KDM4EGAAMAPT
SCHEMBL8969750 0.76 MAOA (0.37) ACHESMN1; SMN2TSHRLMNA
SCHEMBL8970437 0.75 MPO (0.36) ACHE
SCHEMBL8969797 0.75 LRRK2 (0.39) ACHEALDH1A1KDM4ELMNAMEN1
SCHEMBL8969460 0.75 ACHE (0.42) ACHEKDM4EPOLBTSHR
SCHEMBL8968811 0.72 LRRK2 (0.38)
SCHEMBL8968721 0.68 KDM4E (0.38) ALDH1A1KDM4EGAAMAPTPOLB
SCHEMBL8969422 0.68 HRH4 (0.34) ACHE
SCHEMBL8968897 0.68 BCHE (0.31) ACHE

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