SCHEMBL8647679

SCHEMBL8647679

Cn1nc(-c2ccccc2)c(C#N)c1SCCC=C(F)F

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.51
ALDH1A1 P00352 5/20 0.51
LMNA P02545 4/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
NPSR1 Q6W5P4 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRM5 P41594 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.36
POLB P06746 3/20 0.36
GRIA4 P48058 1/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
ADORA2A P29274 3/20 0.34
ADORA1 P30542 3/20 0.34
SQOR Q9Y6N5 1/20 0.34
GAA P10253 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
SCHEMBL7020809 0.80 POLB (0.30) POLB
SCHEMBL14133165 0.72 TDP1 (0.84) TDP1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL17173942 0.67 LMNA (0.56) TDP1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL14132951 0.67 LMNA (0.79) TDP1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL7026569 0.66 PTGES (0.43) ALDH1A1LMNANPSR1MEN1KMT2A
SCHEMBL9044537 0.66 KDM4E (0.40) LMNASMN1; SMN2KDM4EMAPTHPGD
SCHEMBL7026510 0.65
SCHEMBL14132926 0.64 TDP1 (1.00) TDP1ALDH1A1LMNAL3MBTL1NPSR1
SCHEMBL9268827 0.64 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL5346053 0.64 TDP1 (0.64) TDP1ALDH1A1LMNAL3MBTL1NPSR1

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
EP-0861237-A1 SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1998-09-02 EP disclosed
WO-1997018195-A1 SUBSTITUTED 1-METHYL-3-PHENYLPYRAZOLES AND THE USE THEREOF AS HERBICIDES AND FOR THE DESICCATION OR DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1997-05-22 WO disclosed