SCHEMBL11072002

SCHEMBL11072002

CCc1c(C#N)c(=O)[nH]c2c1sc1ncccc12

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 2/20 0.43
PDE9A O76083 7/20 0.39
PRMT5 O14744 1/20 0.36
KCNMA1 Q12791 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
AGTR1 P30556 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD11B1 P28845 2/20 0.33
LIMK1 P53667 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
SCHEMBL5729400 0.70 KDM4E (0.46) ALDH1A1HPGDNPC1LMNARAB9A
SCHEMBL11068693 0.69 LRRK2 (0.38) KDM4DALDH1A1HPGDLMNALIMK1
SCHEMBL11071942 0.66 ALDH1A1 (0.43) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL7348659 0.65 PDE9A (0.39) KDM4DPDE9AKCNMA1ALDH1A1HPGD
SCHEMBL16283937 0.64 HPGD (0.43) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL15827544 0.63 HPGD (0.42) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL11071485 0.63 LRRK2 (0.39) KDM4DALDH1A1HPGDLMNALIMK1
SCHEMBL23099071 0.62 LIMK1 (0.37) KCNMA1ALDH1A1LIMK1
SCHEMBL271817 0.62 LIMK1 (0.41) ALDH1A1HPGDNPC1LMNAMAPT
SCHEMBL10981876 0.62 ALDH1A1 (0.39) KDM4DPDE9AALDH1A1HPGDLMNA

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
US-4474786-A CONGESTIVE HEART FAILURE SCHERING CORPORATION (US) 1984-10-02 US disclosed
EP-0102046-A1 Tricyclic lactams, method for making them, pharmaceutical compositions containing them SCHERING CORPORATION (US) 1984-03-07 EP disclosed