SCHEMBL11628504

SCHEMBL11628504

Cc1sccc1-c1ncc(C#N)c(=O)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 5/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HPGD P15428 3/20 0.38
PDE3A Q14432 3/20 0.38
PDE4A P27815 2/20 0.38
BLM P54132 2/20 0.38
PDE3B Q13370 2/20 0.38
PDE5A O76074 1/20 0.38
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
GCK P35557 1/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 2/20 0.37
GALR3 O60755 1/20 0.37

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
SCHEMBL11631951 0.83 MAPK1 (0.46) MAPK1KDM4ERXFP1HPGDPDE3A
SCHEMBL11627508 0.74 PLA2G10 (0.45) MAPK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL11629754 0.71 GUSB (0.48) MAPK1KDM4EHPGDALDH1A1GAA
SCHEMBL11629253 0.71 PTGES (0.44) MAPK1KDM4EHPGDLMNAGCK
SCHEMBL11629965 0.71 GUCY1B2 (0.48) MAPK1KDM4EHPGDGCKALDH1A1
SCHEMBL11625206 0.71 HTT (0.54) MAPK1KDM4EPDE5ALMNAALDH1A1
SCHEMBL11628494 0.71 MAPK1 (0.45) MAPK1KDM4ERXFP1HPGDPDE3A
SCHEMBL23900415 0.70 MAPK1 (0.56) MAPK1KDM4ERXFP1HPGDPDE3A
SCHEMBL3521755 0.70 RECQL (0.54) MAPK1KDM4EHPGDGCKALDH1A1
SCHEMBL11625024 0.69 PDE5A (0.56) MAPK1KDM4EHPGDPDE5AALDH1A1

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-4082751-A ANTIALLERGENS BRISTOL-MYERS COMPANY (US) 1978-04-04 US disclosed