SCHEMBL7669227

SCHEMBL7669227

O=c1c(Cc2cccnc2)cn2c3c(cccc13)Oc1ccccc1-2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VKORC1 Q9BQB6 1/20 0.38
ALOX5 P09917 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
ABL1 P00519 1/20 0.35
KDR P35968 1/20 0.35
TP53 P04637 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HPGD P15428 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
PLA2G7 Q13093 1/20 0.34
CYP1B1 Q16678 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
SCHEMBL7671417 0.82 GAA (0.39) VKORC1ALOX5ALDH1A1KDM4EGAA
SCHEMBL7666716 0.80 SMN1; SMN2 (0.39) VKORC1ALOX5ALDH1A1KDM4EGAA
SCHEMBL7668581 0.80 GSK3B (0.37) VKORC1ALOX5ALDH1A1TP53POLB
SCHEMBL7662117 0.79 PTGDR2 (0.36) ALDH1A1KDM4EGAASMN1; SMN2LMNA
SCHEMBL7663982 0.78 TP53 (0.39) VKORC1KDM4EGAATP53LMNA
SCHEMBL7687283 0.77 RIPK1 (0.40) ALOX5ALDH1A1TP53PKMCYP1B1
SCHEMBL7666493 0.74 GABRA1 (0.40) VKORC1ALOX5KDM4ELMNAPLA2G7
SCHEMBL7670688 0.74 RIPK1 (0.38) ALDH1A1GAAPKM
SCHEMBL7673275 0.73 PKM (0.36) ALDH1A1PKM
SCHEMBL7666654 0.73 PKM (0.36) ALDH1A1PKM

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