SCHEMBL9557680

SCHEMBL9557680

CN(C(=O)c1ccccc1F)N(C(=O)c1ccccc1F)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 1/20 0.47
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
GAA P10253 1/20 0.43
HTT P42858 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
GRM1 Q13255 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
RIPK1 Q13546 1/20 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
SCHEMBL9557956 0.91 MEN1 (0.49) MEN1KMT2AALDH1A1ALOX15CES2
SCHEMBL9557556 0.81 KMT2A (0.49) MEN1KMT2AHTTKDM4EHPGD
SCHEMBL9557317 0.80 POLB (0.54) HTTPOLBHPGD
SCHEMBL9557605 0.80 MEN1 (0.43) MEN1KMT2AALDH1A1ALOX15CES2
SCHEMBL12084858 0.79 CES2 (0.52) MEN1KMT2AALDH1A1ALOX15CES2
SCHEMBL9557479 0.78 NR4A1 (0.51) MEN1KMT2AALDH1A1ALOX15HTT
SCHEMBL9557258 0.78 CTSD (0.49) HTTRAB9ANPC1MAPTSMN1; SMN2
SCHEMBL9557495 0.77 CES2 (0.41) MEN1KMT2ACES2CES1POLB
SCHEMBL254968 0.76 MEN1 (0.61) MEN1KMT2AALDH1A1ALOX15CES2
SCHEMBL8173976 0.76 MEN1 (0.49) MEN1KMT2AALDH1A1ALOX15CES2

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-5225443-A Lepidotera and Coleoptera insecticides to protect plants ROHM AND HAAS COMPANY (US) 1993-07-06 US disclosed
EP-0245950-A2 Insecticidal n-substituted-n' - substituted-n, n'-diacylhydrazines ROHM AND HAAS COMPANY (US) 1987-11-19 EP disclosed