SCHEMBL7673281

SCHEMBL7673281

O=c1c(Cc2ccccc2)nn2c3ccccc3c3cccc1c32

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.42
▸ CA9 Q16790 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PARP1 P09874 2/20 0.40
▸ AR P10275 1/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ CYP2C9 P11712 2/20 0.37
▸ CYP2C19 P33261 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ADORA1 P30542 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ NQO1 P15559 1/20 0.36

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
SCHEMBL7668385 0.87 POLB (0.41) KDM4EHSD17B10
SCHEMBL9025088 0.74 ALDH1A1 (0.40) PARP1P2RX4KDM4ECYP1A2TDP1
SCHEMBL9025371 0.68 CYP1A2 (0.44) TSHRPARP1P2RX4KDM4ECYP1A2
SCHEMBL9023887 0.68 GLA (0.47) TSHRP2RX4KDM4ECYP1A2CYP2C9
SCHEMBL9024823 0.68 P2RX4 (0.36) PARP1P2RX4KDM4ECYP1A2TDP1
SCHEMBL9024487 0.67 ABCB1 (0.42) TSHRP2RX4KDM4EALDH1A1NQO1
SCHEMBL7674661 0.64 DUSP3 (0.40) PARP1KDM4ECYP1A2CYP2C9CYP2C19
SCHEMBL28868393 0.64 MCL1 (0.44) TSHRPARP1ARCYP19A1PTPN1
SCHEMBL7668624 0.64 P2RX4 (0.47) P2RX4HDAC6KDM4EALDH1A1HPGD
SCHEMBL27917591 0.63 MCL1 (0.62) P2RX4KDM4ECYP1A2CYP2C9CYP2C19

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
Send feedback