SCHEMBL5246767

SCHEMBL5246767

CCNC(=O)c1ccc(-n2cc(C(=O)NCc3ccccc3)nn2)c(OCCOCCF)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.47
BRD4 O60885 3/20 0.46
ALDH1A1 P00352 4/20 0.41
LMNA P02545 1/20 0.41
PSEN1 P49768 2/20 0.41
PSEN2 P49810 2/20 0.41
APH1B Q8WW43 2/20 0.41
NCSTN Q92542 2/20 0.41
APH1A Q96BI3 2/20 0.41
PSENEN Q9NZ42 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.39
GAA P10253 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
CYP2C9 P11712 2/20 0.39
HPGD P15428 2/20 0.39
DDT P30046 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL5244462 0.93 MAPT (0.40) MIFBRD4SMN1; SMN2GAA
SCHEMBL5246709 0.92 ROCK2 (0.42) MIFBRD4LMNAPSEN1PSEN2
SCHEMBL5244706 0.92 ROCK2 (0.40) MIFBRD4PSEN1PSEN2APH1B
SCHEMBL5246245 0.91 ROCK2 (0.41) MIFBRD4PSEN1PSEN2APH1B
SCHEMBL5246030 0.91 LMNA (0.42) MIFBRD4ALDH1A1LMNAPSEN1
SCHEMBL5244747 0.91 BRD4 (0.47) BRD4LMNAPSEN1PSEN2APH1B
SCHEMBL5248346 0.91 ROCK2 (0.45) MIFBRD4LMNAPSEN1PSEN2
SCHEMBL5244330 0.90 BRD4 (0.42) MIFBRD4PSEN1PSEN2APH1B
SCHEMBL5247395 0.90 DDT (0.43) MIFALDH1A1PSEN1PSEN2APH1B
SCHEMBL5247966 0.90 EPHX2 (0.43) MIFLMNAMEN1KMT2ACYP2C19

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
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 EP disclosed