SCHEMBL4429900

SCHEMBL4429900

NCCc1nc2cccc(C(F)(F)F)c2nc1-c1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.40
MAOB P27338 2/20 0.36
NR1H2 P55055 4/20 0.35
NR1H3 Q13133 3/20 0.35
TAAR1 Q96RJ0 2/20 0.35
CTSA P10619 1/20 0.35
PIK3CD O00329 1/20 0.34
DPP4 P27487 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
MPL P40238 1/20 0.34
P2RX7 Q99572 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL4442168 0.88 HSD11B1 (0.40) HSD11B1NR1H2NR1H3CTSAKDM4E
SCHEMBL27802800 0.88 HSD11B1 (0.40) HSD11B1NR1H2NR1H3CTSAPIK3CD
SCHEMBL4173848 0.85 HSD11B1 (0.41) HSD11B1NR1H2NR1H3CTSAPIK3CD
SCHEMBL14047492 0.85 HSD11B1 (0.41) HSD11B1NR1H2NR1H3CTSAKDM4E
SCHEMBL4433997 0.82 HSD11B1 (0.40) HSD11B1KDM4EALDH1A1KMT2A
SCHEMBL4178245 0.81 DPP4 (0.42) HSD11B1DPP4MPLP2RX7
SCHEMBL16585330 0.80 KDM4E (0.46) MAOBTAAR1DPP4KDM4EALDH1A1
SCHEMBL4177857 0.80 HSD11B1 (0.48) HSD11B1NR1H2KDM4EALDH1A1GLA
SCHEMBL27781199 0.79 HSD11B1 (0.37) HSD11B1CTSADPP4KDM4EP2RX7
SCHEMBL4182193 0.77 HSD11B1 (0.40) HSD11B1CTSAPIK3CDKDM4EALDH1A1

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-2137186-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2009-12-30 EP disclosed
WO-2008118468-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2008-10-02 WO disclosed