SCHEMBL10364987

SCHEMBL10364987

O=C(NC1CC1)c1cnn(-c2ccccn2)c1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
TGFBR1 P36897 1/20 0.45
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
HSD11B1 P28845 1/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DRD2 P14416 1/20 0.44
TYK2 P29597 4/20 0.44
MALT1 Q9UDY8 5/20 0.43
DDR1 Q08345 1/20 0.41
DDR2 Q16832 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
MAP3K2 Q9Y2U5 1/20 0.41

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
SCHEMBL10365365 0.83 ALDH1A1 (0.69) SPRKDM4EALDH1A1MAPK11MAPK14
SCHEMBL10364566 0.83 KDM4E (0.52) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL29419571 0.80 MAPT (0.68) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL1335647 0.80 MAPT (0.68) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL10366047 0.80 CNR1 (0.41) POLBDRD2TYK2MEN1KMT2A
SCHEMBL2854476 0.80 MALT1 (0.56) KDM4ESMN1; SMN2MALT1
SCHEMBL31684401 0.79 MAPT (0.51) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL30147333 0.79 MAPT (0.51) KDM4EALDH1A1MAPTPOLBSMN1; SMN2
SCHEMBL2852540 0.79 KDM4E (0.66) SPRKDM4EALDH1A1MAPK11MAPK14
SCHEMBL2850157 0.79 KDM4E (0.47) KDM4EALDH1A1MAPTPOLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0151866-B1 HERBICIDAL PYRAZOLE-(THIO)-CARBOXAMIDES ELI LILLY AND COMPANY (US) 1990-07-25 EP disclosed
US-4620865-A Herbicidal and algicidal 1,5-disubstituted-1H-pyrazole-4-carboxamides ELI LILLY AND COMPANY (US) 1986-11-04 US disclosed
EP-0151866-A2 Herbicidal pyrazole-(thio)-carboxamides ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed