SCHEMBL26224570

SCHEMBL26224570

N=C(NNC(=N)c1cccc(-c2ccccc2-c2ccccc2-c2cccc(/C(N)=N/N=C(\N)c3ccccc3)c2)c1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.43
▸ PRSS2 P07478 2/20 0.43
▸ PRSS3 P35030 2/20 0.43
▸ PTGER1 P34995 3/20 0.37
▸ HDAC8 Q9BY41 1/20 0.35
▸ CYP2C9 P11712 1/20 0.33
▸ KAT6A Q92794 2/20 0.33
▸ F10 P00742 2/20 0.33
▸ SERPINE1 P05121 1/20 0.33
▸ F2 P00734 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ F9 P00740 1/20 0.33
▸ PLG P00747 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ WDR5 P61964 1/20 0.33
▸ F12 P00748 1/20 0.33
▸ F7 P08709 1/20 0.33
▸ F3 P13726 1/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL24715247 0.87 PRSS1 (0.46) PRSS1PRSS2PRSS3PTGER1HDAC8
SCHEMBL24689815 0.87 PRSS1 (0.46) PRSS1PRSS2PRSS3PTGER1HDAC8
SCHEMBL24689825 0.72 KMT2A (0.45) F10F2SIGMAR1MEN1KMT2A
SCHEMBL5067711 0.68 F2 (0.50) PRSS1PRSS2PRSS3HDAC8F10
SCHEMBL18938347 0.68 KMT2A (0.61) PRSS1PRSS2PRSS3F10F2
SCHEMBL18891443 0.66 PBRM1 (0.55) PRSS1PRSS2PRSS3F2PLG
SCHEMBL24689800 0.65 PRSS1 (0.46) PRSS1PRSS2PRSS3PTGER1HDAC8
SCHEMBL22044393 0.65 PKM (0.61) MEN1KMT2APKM
SCHEMBL22044441 0.65 PARP1 (0.55) HDAC8PKM
SCHEMBL5307077 0.65 PARP1 (0.56) PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4243101-A1 ORGANIC LIGHT-EMITTING DEVICE Lg Chem, Ltd. (KR) 2023-09-13 — — EP disclosed
Send feedback