SCHEMBL8900220

SCHEMBL8900220

Cc1ccccc1Cc1cc(F)ccc1C(=O)C(C#N)C(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.36
DPP4 P27487 8/20 0.35
DPP9 Q86TI2 8/20 0.35
DPP8 Q6V1X1 5/20 0.35
FAP Q12884 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GID4 Q8IVV7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
DPP7 Q9UHL4 3/20 0.32
CHRM4 P08173 1/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.32
ACSL1 P33121 1/20 0.32

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) HSD11B1DPP4DPP9DPP8FAP
SCHEMBL8901366 0.76 SCN1A (0.42) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8891129 0.75 HPGD (0.36) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL8890858 0.74 SLC6A2 (0.36) MEN1KMT2AGAAMAPT
SCHEMBL8891189 0.73 PTPN1 (0.34)
SCHEMBL8891679 0.73 NR3C1 (0.36) HSD11B1DPP4MEN1KMT2ACYP2D6
SCHEMBL8891322 0.73
SCHEMBL8890939 0.73 HTT (0.46) ALDH1A1GAACYP2C9
SCHEMBL14155670 0.72 NPC1 (0.38) NPC1RAB9AMEN1KMT2ACYP2D6
SCHEMBL8891181 0.72 KMT2A (0.40) MEN1KMT2AALDH1A1GAAMAPT

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