SCHEMBL22307347

SCHEMBL22307347

O=C(NCNCNC(=O)c1ccc(-c2ccccc2)[nH]1)c1ccc(-c2ccccc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.54
▸ HSD17B10 Q99714 2/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.42
▸ USP2 O75604 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ PTPN11 Q06124 1/20 0.41
▸ NQO2 P16083 1/20 0.38
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ GHSR Q92847 1/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ACR P10323 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
SCHEMBL20266985 0.83 PTPN1 (0.52) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL20267071 0.81 PTPN1 (0.51) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL7185412 0.80 PTPN1 (0.50) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL22040413 0.77 PTPN1 (0.47) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL31265773 0.77 PTPN1 (0.85) PTPN1PTPN11NPC1RAB9ASMN1; SMN2
SCHEMBL17267000 0.77 PTPN1 (0.79) PTPN1KDM4EPTPN11NPC1RAB9A
SCHEMBL308253 0.75 KDM4E (0.69) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL27699479 0.75 KDM4E (0.53) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL18493700 0.75 PTPN1 (0.45) PTPN1HSD17B10CYP1A2CYP2C9KDM4E
SCHEMBL20287868 0.74 BCHE (0.47) PTPN1GAA

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
WO-2020158647-A1 MATERIAL FOR HOT MELT EXTRUSION SYSTEM, MODELING MATERIAL FOR 3D PRINTERS, METHOD FOR PRODUCING MODELING MATERIAL FOR 3D PRINTERS, AND THREE-DIMENSIONAL MODEL コニカミノルタ株式会社 2020-08-06 — — WO disclosed
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