SCHEMBL9132869

SCHEMBL9132869

COc1cc2c(cc1OC)CN(c1nc(Cl)nc3cc(OC)c(OC)cc13)CC2

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.69
ALDH1A1 P00352 3/20 0.67
ADRA1D P25100 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
EHMT2 Q96KQ7 1/20 0.47
MAOB P27338 5/20 0.47
NSD2 O96028 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MAOA P21397 2/20 0.44
SLC6A4 P31645 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 1/20 0.44
STAT6 P42226 1/20 0.44

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
SCHEMBL3773776 0.87 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL25488835 0.84 MAOB (0.51) SMN1; SMN2ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL30455285 0.81 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1MAPTEHMT2NSD2
SCHEMBL4092118 0.81 SMN1; SMN2 (0.97) SMN1; SMN2ALDH1A1MAPTEHMT2NSD2
SCHEMBL3318391 0.80 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1MAPTEHMT2NSD2
SCHEMBL9226427 0.80 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL4761451 0.80 ACHE (0.67) ADRA1DADRA1AADRA1B
SCHEMBL3792399 0.79 MAOB (0.54) SMN1; SMN2ALDH1A1ADRA1DADRA1AADRA1B
SCHEMBL9008378 0.79 MAOB (0.54) SMN1; SMN2ALDH1A1ADRA1DADRA1AADRA1B
Hydrochloric Acid SCHEMBL4760523 0.79 ACHE (0.66) ADRA1DADRA1AADRA1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444062-A Quinazolines derivatives for enhancing antitumor activity PFIZER INC. (US) 1995-08-22 US disclosed
EP-0556310-B1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER (US) 1995-07-05 EP disclosed
EP-0556310-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY. PFIZER (US) 1993-08-25 EP disclosed
WO-1992007844-A1 QUINAZOLINES DERIVATIVES FOR ENHANCING ANTITUMOR ACTIVITY PFIZER INC. (US) 1992-05-14 WO disclosed