SCHEMBL19675209

SCHEMBL19675209

C=C(C)c1n[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.57
▸ YTHDC1 Q96MU7 1/20 0.57
▸ STAT3 P40763 1/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ FLT3 P36888 5/20 0.50
▸ GAA P10253 2/20 0.50
▸ IDO1 P14902 2/20 0.50
▸ CDK2 P24941 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ALPL P05186 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ TTK P33981 1/20 0.50
▸ MAPK10 P53779 1/20 0.50
▸ CCNA2 P20248 1/20 0.50
▸ CCNA1 P78396 1/20 0.50
▸ CTNNB1 P35222 3/20 0.49
▸ WNT3A P56704 3/20 0.49
▸ PDPK1 O15530 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL217086 0.81 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL29781840 0.81 KDM4E (0.67) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL12441826 0.81 KDM4E (0.57) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL19676568 0.80 KDM4E (0.53) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL17621877 0.79 KDM4E (0.68) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL2310989 0.78 KDM4E (0.55) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL7668372 0.76 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL31148407 0.76 KDM4E (0.66) KDM4EYTHDC1STAT3HIF1AFLT3
SCHEMBL23081120 0.75 PDPK1 (0.59) FLT3IDO1CDK2HPGDPDPK1
SCHEMBL4029751 0.75 KDM4E (0.55) KDM4EYTHDC1STAT3HIF1AFLT3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024108155-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2024-05-23 — — WO disclosed
EP-3252050-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
EP-3252049-A1 PHTHALAZINONES AND ISOQUINOLINONES AS ROCK INHIBITORS Bristol-Myers Squibb Company (US) 2017-12-06 — — EP disclosed
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