SCHEMBL8607601

SCHEMBL8607601

CSc1ccc(C(=O)C(C#N)C(=O)C2CC2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
KMT2A Q03164 1/20 0.34
FLT1 P17948 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
GFER P55789 1/20 0.32
GAA P10253 1/20 0.32
MCL1 Q07820 1/20 0.32
CASP6 P55212 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
NFKB1 P19838 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
SCHEMBL8606694 0.83 HPGD (0.49) HPGDSMN1; SMN2ALDH1A1TSHRKMT2A
SCHEMBL3950084 0.82 TSHR (0.32) HPGDSMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL8606823 0.82 AR (0.37) HPGDSMN1; SMN2ALDH1A1KMT2AGAA
SCHEMBL8607103 0.81 CTSK (0.35) SMN1; SMN2KDM4EALDH1A1HTTKMT2A
SCHEMBL8609547 0.81 HPGD (0.30) HPGDSMN1; SMN2GAA
SCHEMBL8608348 0.80 KDM4E (0.39) HPGDSMN1; SMN2KDM4EALDH1A1HSD17B10
SCHEMBL8725815 0.80 HPGD (0.30) HPGDSMN1; SMN2
SCHEMBL6557980 0.80 LMNA (0.41) ALDH1A1KMT2AGAAMAPTRAB9A
SCHEMBL8953184 0.79 NOTUM (0.36) TSHRHTTKMT2AGAANPC1
SCHEMBL8891129 0.79 HPGD (0.36) HPGDSMN1; SMN2ALDH1A1KMT2AGAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP claimed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP claimed
US-5804532-A REACTING A BENZOYL ISOXAZOLE WITH A BASE RHONE-POULENC AGRICULTURE LIMITED (GB) 1998-09-08 US disclosed
US-H1596-H INSECTICIDES, MITICIDES, NEMATOSIDES AND ANTIPROTOZOA AGENTS Rh one-Poulenc Inc. (US) 1996-09-03 US disclosed
EP-0496630-B1 2-Cyano-1,3-dione herbicides RHONE POULENC AGRICULTURE (GB) 1995-06-07 EP disclosed
EP-0496630-A1 2-Cyano-1,3-dione herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1992-07-29 EP disclosed