SCHEMBL8422340

SCHEMBL8422340

CC(=O)NCc1cc(N2C(C)=CNC(=O)C2NCCc2ccc(F)cc2)c(N)nc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ SCD O00767 1/20 0.34
▸ HTR7 P34969 2/20 0.33
▸ F2 P00734 4/20 0.33
▸ SPR P35270 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.32
▸ KLKB1 P03952 1/20 0.31
▸ SETDB1 Q15047 1/20 0.31
▸ PRSS1 P07477 2/20 0.31
▸ PRSS2 P07478 1/20 0.31
▸ PRSS3 P35030 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MASP2 O00187 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ EGFR P00533 1/20 0.30
▸ CDK2 P24941 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL8420177 0.87 HSD17B10 (0.38) MEN1KMT2AL3MBTL1F2HSD17B10
SCHEMBL7811676 0.65 F2 (0.52) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825334 0.65 F2 (0.50) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7847492 0.63 F2 (0.45) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7825524 0.63 F2 (0.60) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7819612 0.61 F2 (0.51) F2SETDB1PRSS1PRSS2PRSS3
SCHEMBL658361 0.60 KDM4E (0.70) MEN1KMT2AHSD17B10ALDH1A1
SCHEMBL8418937 0.59 — —
SCHEMBL7817160 0.59 F2 (0.41) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL7824021 0.58 F2 (0.39) F2PRSS1PRSS2PRSS3MASP2

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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