SCHEMBL8420177

SCHEMBL8420177

CC(=O)NCc1cc(N2C(C)=CNC(=O)C2NCCc2ccc3c(c2)OCO3)c(N)nc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ TSHR P16473 3/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ ADORA1 P30542 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FAAH O00519 1/20 0.35

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
SCHEMBL8422340 0.87 MEN1 (0.35) HSD17B10POLBL3MBTL1MEN1KMT2A
SCHEMBL7824393 0.70 MAPT (0.46) HSD17B10POLBKDM4ETSHRHTT
SCHEMBL8420334 0.68 TGFBR1 (0.32) HSD17B10KDM4EGAAMAPTMEN1
SCHEMBL7817035 0.68 F2 (0.47) HSD17B10POLBKDM4ETSHRADORA2A
SCHEMBL11744707 0.66 HSD17B10 (0.70) HSD17B10POLBKDM4ETSHRMAPK1
SCHEMBL7555716 0.66 CYP1A2 (0.43) HSD17B10POLBKDM4ETSHRMAPK1
SCHEMBL4991673 0.64 SMN1; SMN2 (0.73) HSD17B10MAPK1TDP1GAALMNA
SCHEMBL7410059 0.63 CYP2D6 (0.39) HSD17B10POLBKDM4ETSHRMAPK1
SCHEMBL7809247 0.63 F2 (0.47) POLBKDM4EHTTL3MBTL1MAPT
SCHEMBL4741336 0.62 LMNA (0.57) KDM4ETDP1HTTLMNASMN1; SMN2

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
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 — — US disclosed
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