SCHEMBL27688641

SCHEMBL27688641

CCCC(=N)CCN(c1ccc(F)cc1)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
KMT2A Q03164 2/20 0.33
POLB P06746 2/20 0.33
HDAC1 Q13547 2/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
ALDH1A1 P00352 2/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32
MEN1 O00255 1/20 0.32
GRM1 Q13255 1/20 0.31
FBP1 P09467 1/20 0.31
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL2983284 0.77 FFAR1 (0.41) FFAR1FFAR4KMT2AHDAC1ESR1
SCHEMBL7535772 0.70 FBP1 (0.47) KMT2AALDH1A1MEN1FBP1NPC1
SCHEMBL2976681 0.70 SIGMAR1 (0.45) KMT2AMEN1HTT
SCHEMBL18939227 0.69 LMNA (0.46) KMT2AALDH1A1MEN1NPC1RAB9A
SCHEMBL27812591 0.68 FFAR1 (0.51) FFAR1FFAR4KMT2APOLBHDAC1
SCHEMBL2975777 0.68 FBP1 (0.41) KMT2AALDH1A1SCN1ASCN2ASCN3A
Bromide SCHEMBL27812103 0.67 FFAR1 (0.50) FFAR1FFAR4KMT2APOLBHDAC1
SCHEMBL8145854 0.64 ALDH1A1 (0.52) FFAR1FFAR4KMT2APOLBHDAC1
Hydrochloric Acid SCHEMBL27988328 0.63 ALDH1A1 (0.51) FFAR1FFAR4KMT2APOLBHDAC1
SCHEMBL27873330 0.62 FDPS (0.38) POLBALDH1A1FBP1NPC1RAB9A

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
CN-101115749-B Aminopyrimidine compounds and methods of use AMGEN INC 2011-06-22 CN disclosed
CN-101115749-A Aminopyrimidine compounds and methods of use AMGEN INC (US) 2008-01-30 CN disclosed