SCHEMBL8901366

SCHEMBL8901366

N#CC(C(=O)c1ccccc1Cc1ccccc1)C(=O)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
CAPN1 P07384 1/20 0.39
PTPN1 P18031 4/20 0.36
PTPN2 P17706 1/20 0.36
PTPN6 P29350 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EGFR P00533 1/20 0.35
CA1 P00915 1/20 0.34

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
SCHEMBL8890879 0.88 DPP4 (0.37) SCN1ASCN2ASCN3ATSHRALDH1A1
SCHEMBL8891129 0.83 HPGD (0.36) MEN1KMT2AALDH1A1MAPTPTPN1
SCHEMBL8890858 0.82 SLC6A2 (0.36) MEN1KMT2AMAPTPOLBL3MBTL1
SCHEMBL8891189 0.81 PTPN1 (0.34) SCN1ASCN2ASCN3ATSHRPTPN1
SCHEMBL8891679 0.81 NR3C1 (0.36) MEN1KMT2APOLB
SCHEMBL8891322 0.81
SCHEMBL8815651 0.78 TSHR (0.32) TSHRMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL8900220 0.76 HSD11B1 (0.36) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8814644 0.76 MAPT (0.33) TSHRMEN1KMT2AALDH1A1MAPT
SCHEMBL9241967 0.73 ACVRL1 (0.37) KDM4ESMN1; SMN2POLB

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-1997028136-A1 BENZOYLISOXAZOLES AND 2-CYANO-1,3-DIONE DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-08-07 WO disclosed