SCHEMBL7668581

SCHEMBL7668581

O=c1c(Cc2cccnc2)cn2c3c(cccc13)Nc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.37
ALOX5 P09917 1/20 0.37
PLA2G7 Q13093 5/20 0.36
ALDH1A1 P00352 1/20 0.36
VKORC1 Q9BQB6 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
MAPK10 P53779 1/20 0.35
PDE7A Q13946 1/20 0.35
P2RX7 Q99572 1/20 0.34
CYP1B1 Q16678 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7672504 0.87 NR1H2 (0.40) ALDH1A1
SCHEMBL7671417 0.82 GAA (0.39) ALOX5PLA2G7ALDH1A1VKORC1TP53
SCHEMBL7669227 0.80 VKORC1 (0.38) ALOX5PLA2G7ALDH1A1VKORC1TP53
SCHEMBL7666716 0.80 SMN1; SMN2 (0.39) ALOX5PLA2G7ALDH1A1VKORC1TP53
SCHEMBL7663982 0.78 TP53 (0.39) VKORC1TP53PDE7A
SCHEMBL7666493 0.74 GABRA1 (0.40) ALOX5PLA2G7VKORC1CYP1B1
SCHEMBL7668181 0.73 PKM (0.36) ALDH1A1PKM
SCHEMBL7672566 0.73 BRD4 (0.37) ALDH1A1PKM
SCHEMBL7665153 0.71 KCNA5 (0.35) PLA2G7PKM
SCHEMBL7669021 0.71 KCNA5 (0.33) PLA2G7PKM

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-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed