SCHEMBL14554355

SCHEMBL14554355

CN(CCN)c1ccc(C(F)(F)F)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CAMK1D Q8IU85 1/20 0.41
KMT2A Q03164 1/20 0.39
AR P10275 1/20 0.38
HCAR3 P49019 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
PTPN11 Q06124 1/20 0.36
AOC3 Q16853 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL14554401 0.78 HCAR3 (0.41) SMN1; SMN2HCAR3JAK2PTPN11AOC3
SCHEMBL2787089 0.78 L3MBTL1 (0.47) L3MBTL1KDM4ELMNAGAAHTT
SCHEMBL14180516 0.77 L3MBTL1 (0.46) L3MBTL1KDM4ELMNAGAAHTT
SCHEMBL14554344 0.76 HCAR3 (0.41) HCAR3TAAR1PTPN11AOC3HRH3
SCHEMBL14484879 0.76 L3MBTL1 (0.56) L3MBTL1KDM4ELMNAGAAHTT
SCHEMBL13417452 0.73 GBA1 (0.55) L3MBTL1KDM4ELMNAGAAHTT
SCHEMBL14554389 0.72 HCAR3 (0.39) KDM4ELMNAHCAR3TAAR1PTPN11
SCHEMBL8979076 0.71 L3MBTL1 (0.48) L3MBTL1KDM4ELMNAGAAHTT
SCHEMBL14554500 0.71 CKS1B (0.56) L3MBTL1GAAHCAR3TRPV1
SCHEMBL14554440 0.71 EGLN2 (0.38) L3MBTL1KDM4ELMNAGAAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed