SCHEMBL7977837

SCHEMBL7977837

N#Cc1ccccc1NC/C=C/C(N)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
KDM4E B2RXH2 4/20 0.47
TSHR P16473 2/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL10671006 0.80 KDM4E (0.53) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL3626955 0.80 KDM4E (0.53) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL29072362 0.78 KDM4E (0.56) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL29072360 0.78 KDM4E (0.56) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL9408904 0.76 KDM4E (0.53) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL9408906 0.76 KDM4E (0.53) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL11255540 0.73 GAA (0.39) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL3618684 0.73 KDM4E (0.56) GAAKDM4ETSHRHPGDHSD17B10
SCHEMBL11633735 0.73 KDM1A (0.47) GAATSHRHSD17B10ALDH1A1CA12
SCHEMBL30107521 0.72 GAA (0.64) GAAKDM4ETSHRHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6262291-B1 CHEMICAL INTERMEDIATE FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 2001-07-17 US disclosed
US-6169182-B1 REACTING SUBSTITUTED N-(CYANOPHENYL)AMINOALKENAMIDES WITH CARBONIC ACID DERIVATIVES BAYER AKTIENGESELLSCHAFT (DE) 2001-01-02 US disclosed