SCHEMBL7668385

SCHEMBL7668385

O=c1c(Cc2cccnc2)nn2c3ccccc3c3cccc1c32

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CHRM1 P11229 1/20 0.39
▸ VKORC1 Q9BQB6 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ GAA P10253 5/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GUSB P08236 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ GABRA1 P14867 1/20 0.37
▸ GABRA5 P31644 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
SCHEMBL7673281 0.87 CA12 (0.42) KDM4EHSD17B10
SCHEMBL7666493 0.71 GABRA1 (0.40) CHRM1VKORC1ALOX5GUSBCYP1B1
SCHEMBL28866010 0.70 FLT1 (0.44) POLBATMGAAMAPTGUSB
SCHEMBL9025088 0.68 ALDH1A1 (0.40) KDM4E
SCHEMBL7670714 0.68 KCNH2 (0.39) CHRM1VKORC1ALOX5GUSBKDM4E
SCHEMBL8144941 0.66 CYP19A1 (0.38) VKORC1MAPTCYP1B1KDM4EGABRA1
SCHEMBL6976958 0.65 GUSB (0.37) CHRM1VKORC1ALOX5GUSBCYP1B1
SCHEMBL6984153 0.65 ADORA2A (0.38) CHRM1VKORC1ALOX5GUSBKDM4E
SCHEMBL8153648 0.65 VKORC1 (0.40) CHRM1VKORC1GUSBKDM4EGABRA1
SCHEMBL12955389 0.64 AR (0.72) —

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
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