SCHEMBL13618712

SCHEMBL13618712

Cc1ccc(-c2nn(Cc3ccccc3)c3ccsc23)o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 9/20 0.66
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
ALOX15 P16050 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
BLM P54132 2/20 0.46
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL13237887 0.86 PDE5A (0.53) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL2953485 0.83 PDE5A (0.67) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL7500320 0.83 PDE5A (0.46) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL2950333 0.82 PDE5A (0.46) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL5564260 0.80 PDE5A (1.00) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL7094721 0.79 ADORA1 (0.50) PDE5AALDH1A1MAPTSMN1; SMN2LMNA
SCHEMBL7093526 0.76 KMT2A (0.50) ALDH1A1KDM4EHPGDSMN1; SMN2LMNA
SCHEMBL5103308 0.74 PDE5A (0.48) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL7094701 0.73 ESR1 (0.53) PDE5AALDH1A1KDM4EMAPTHPGD
SCHEMBL7096390 0.73 BTK (0.42) PDE5AALDH1A1KDM4EMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1425011-B1 ENHANCEMENT OF LEARNING AND MEMORY AND TREATMENT OF AMNESIA CARLSBAD TECHNOLOGY INC (US) 2009-11-04 EP disclosed