SCHEMBL5164747

SCHEMBL5164747

CC(C)(C)C(=O)Nc1ccc(F)cc1C1=CCNC(Cc2ccccc2)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 4/20 0.37
CCNT1 O60563 3/20 0.37
CHRM3 P20309 9/20 0.37
CHRM2 P08172 4/20 0.37
CHRM1 P11229 4/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.35
NPY2R P49146 1/20 0.35
TOP2A P11388 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
SCHEMBL7844747 0.77 CDK9 (0.35) CDK9CCNT1POLB
SCHEMBL74825 0.71 CCNT1 (0.49) CDK9CCNT1MEN1ALDH1A1GAA
SCHEMBL6961333 0.71 POLB (0.39) MEN1KMT2APOLB
SCHEMBL7560334 0.71 POLB (0.39) MEN1KMT2APOLB
SCHEMBL22557829 0.69 HPGD (0.44) ALDH1A1RAB9ALMNA
SCHEMBL6504166 0.68 POLB (0.34) MEN1ALDH1A1KMT2APOLBLMNA
SCHEMBL6683579 0.67 POLB (0.37) MEN1KMT2APOLB
SCHEMBL5265951 0.67 POLB (0.44) MEN1KMT2APOLB
SCHEMBL6506502 0.65 POLB (0.35) MEN1KMT2APOLB
SCHEMBL8368017 0.65 SLC6A3 (0.37) MEN1ALDH1A1GAAKMT2APOLB

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-1763302-A2 CHEMICAL COMPOUNDS Syngeta Participations AG (CH) 2007-03-21 EP disclosed
WO-2006003494-A2 PIPERIDINE DERIVATIVES AND THEIR USE AS INSECTICIDES, ACARICIDES, MOLLUSCICIDES OR NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-01-12 WO disclosed