SCHEMBL9550340

SCHEMBL9550340

N#CN1C(=O)C2CC=CCC2C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
TP53 P04637 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
TDP1 Q9NUW8 3/20 0.40
CA9 Q16790 4/20 0.38
CA12 O43570 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37

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
SCHEMBL9550327 1.00 ALDH1A1 (0.42) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL9550311 0.74 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDHTTL3MBTL1
SCHEMBL3108916 0.69 ALDH1A1 (0.47) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL16607543 0.69 ALDH1A1 (0.47) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL41953 0.69 ALDH1A1 (0.47) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL676110 0.69 NPSR1 (0.50) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL2661927 0.69 NPSR1 (0.50) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL17970089 0.69 ALDH1A1 (0.47) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL8620006 0.68 ALDH1A1 (0.53) ALDH1A1LMNATSHRTP53HSD17B10
SCHEMBL17532418 0.67 ALDH1A1 (0.57) ALDH1A1LMNATSHRTP53HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP claimed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO claimed
US-5216173-A Curing agents for epoxy resins; polyimides HENKEL RESEARCH CORPORATION (US) 1993-06-01 US disclosed
EP-0484381-A1 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1992-05-13 EP disclosed
WO-1991001307-A2 N-CYANOIMIDES AND PROCESS FOR THEIR PREPARATION AND USES THEREOF HENKEL RESEARCH CORPORATION (US) 1991-02-07 WO disclosed