SCHEMBL4357634

SCHEMBL4357634

CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1NCc1cccc(C(F)(F)F)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.73
MAPT P10636 7/20 0.64
ALDH1A1 P00352 6/20 0.64
LMNA P02545 4/20 0.64
HPGD P15428 4/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
PDE6D O43924 1/20 0.63
PDE6A P16499 1/20 0.63
PDE6G P18545 1/20 0.63
PDE6B P35913 1/20 0.63
PDE6C P51160 1/20 0.63
PDE6H Q13956 1/20 0.63
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
TDP1 Q9NUW8 1/20 0.63
POLB P06746 1/20 0.59
TSHR P16473 2/20 0.56
HSD17B10 Q99714 1/20 0.56
TP53 P04637 2/20 0.54
MAPK1 P28482 2/20 0.53

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
SCHEMBL4356701 0.91 PDE5A (0.77) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL8883700 0.85 PDE5A (0.64) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL7163577 0.85 PDE5A (1.00) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL4363819 0.84 AURKB (0.62) PDE5AMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL5673570 0.84 ALDH1A1 (0.56) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL4352879 0.82 MAPT (0.65) PDE5AMAPTLMNAL3MBTL1SMN1; SMN2
SCHEMBL10681731 0.82 PDE5A (0.62) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL10670455 0.80 PDE5A (0.60) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL7167896 0.80 PDE5A (0.67) PDE5AMAPTALDH1A1LMNAHPGD
SCHEMBL8883368 0.79 AURKB (0.66) PDE5AMAPTALDH1A1KDM4ESMN1; SMN2

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
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
US-5650415-A INHIBITORS OF CELL PROLIFERATION/DIFFERENTIATION, ANTITUMOR, ANTICANCER, TREATMENT OF FIBROTIC DISORDERS, BLOOD VESSEL PROLIFERATION SUGEN, INC. (US) 1997-07-22 US disclosed