SCHEMBL11267101

SCHEMBL11267101

CCOc1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1OC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PDE5A O76074 5/20 0.35
S1PR1 P21453 1/20 0.33
GUSB P08236 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
F10 P00742 1/20 0.31
PLG P00747 1/20 0.31
PLAU P00749 1/20 0.31
PDE2A O00408 1/20 0.31
TRPA1 O75762 1/20 0.31
PGK1 P00558 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL11256789 0.88 EGLN1 (0.36) POLBPDE5AGUSBPDE3BPDE3A
SCHEMBL11257919 0.87 PDE5A (0.34) POLBPDE5AGUSBPDE3BPDE3A
SCHEMBL11253838 0.86 TRPA1 (0.36) POLBPDE5AS1PR1GUSBPDE3B
SCHEMBL11252271 0.84 POLB (0.36) POLBNPSR1PDE3BPDE3APDE2A
SCHEMBL11249168 0.84 PDE5A (0.32) POLBPDE5AGUSBPDE3BPDE3A
SCHEMBL11241670 0.84 TRPA1 (0.33) POLBPDE5AGUSBPDE3BPDE3A
SCHEMBL11259216 0.83 PDE3B (0.33) POLBPDE5AGUSBPDE3BPDE3A
SCHEMBL11255145 0.82 PDE5A (0.33) NPSR1PDE5AGUSBF10PLG
SCHEMBL11256153 0.81 F10 (0.33) POLBPDE5AF10PLGPLAU
SCHEMBL11252458 0.81 HTR2A (0.33) NPSR1PDE5AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed