SCHEMBL7652710

SCHEMBL7652710

COc1cc2nc(Cl)nc(Cl)c2c(OC(C)C)c1OC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC10A2 Q12908 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.38
SRC P12931 2/20 0.37
PGK1 P00558 2/20 0.35
HTT P42858 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4D Q08499 1/20 0.33
EGFR P00533 1/20 0.33
KDR P35968 1/20 0.33

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
SCHEMBL11209986 0.88 SMN1; SMN2 (0.45) SLC10A2SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL7652727 0.86 SLC10A2 (0.38) SLC10A2SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL16689300 0.80 SMN1; SMN2 (0.44) SLC10A2SMN1; SMN2ALDH1A1KDM4EPGK1
SCHEMBL14367995 0.79 SMN1; SMN2 (0.42) SLC10A2SMN1; SMN2ALDH1A1KDM4EPGK1
SCHEMBL28008552 0.78 SMN1; SMN2 (0.41) SLC10A2SMN1; SMN2ALDH1A1KDM4EPGK1
SCHEMBL6767043 0.78 SMN1; SMN2 (0.41) SLC10A2SMN1; SMN2ALDH1A1KDM4EPGK1
SCHEMBL16689327 0.78 SMN1; SMN2 (0.41) SLC10A2SMN1; SMN2ALDH1A1KDM4EPGK1
SCHEMBL6951164 0.76 PDGFRB (0.41) SLC10A2SMN1; SMN2ALDH1A1KDM4EGAA
SCHEMBL7653476 0.74 SLC10A2 (0.40) SLC10A2ALDH1A1GAASRCPDE4A
SCHEMBL11212954 0.73 PDE5A (0.43) SLC10A2SMN1; SMN2ALDH1A1KDM4E

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-6417194-B1 TREATMENT OF BENIGN PROSTATIC HYPERPLASIA PFIZER, INC. 2002-07-09 US disclosed
US-6048864-A Quinolines and quinazolines useful in therapy PFIZER INC (US) 2000-04-11 US disclosed
EP-0887344-A1 Quinolines and quinazolines useful in therapy Pfizer Limited (GB) 1998-12-30 EP disclosed