SCHEMBL14439810

SCHEMBL14439810

CC(C)c1nc(CC(=O)O)n(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGDR2 Q9Y5Y4 4/20 0.36
TDP1 Q9NUW8 1/20 0.35
P2RX3 P56373 3/20 0.33
RHEB Q15382 1/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
KCNH2 Q12809 1/20 0.33
TBXA2R P21731 1/20 0.32
CYP19A1 P11511 1/20 0.32

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
SCHEMBL8345211 0.90 TBXA2R (0.40) MEN1KMT2ATDP1P2RX3KCNH2
SCHEMBL8494049 0.89 PTGDR2 (0.37) MEN1KMT2APTGDR2P2RX3TBXA2R
Carbamic Acid SCHEMBL667612 0.88 PIM1 (0.36) MEN1KMT2APTGDR2TDP1P2RX3
SCHEMBL4680536 0.88 MEN1 (0.38) MEN1KMT2ATDP1P2RX3RHEB
SCHEMBL5852651 0.87 KCNH2 (0.35) MEN1KMT2ATDP1PIM1PIM3
Carbamic Acid SCHEMBL5064953 0.86 PIM1 (0.35) MEN1KMT2ATDP1P2RX3RHEB
SCHEMBL14439807 0.86 KCNH2 (0.38) MEN1KMT2ATDP1KCNH2
SCHEMBL597334 0.86 P2RX3 (0.33) MEN1KMT2ATDP1P2RX3PIM1
SCHEMBL7079061 0.86 L3MBTL1 (0.35) MEN1KMT2ATDP1P2RX3PIM1
SCHEMBL28687873 0.85 MEN1 (0.40) MEN1KMT2ATDP1P2RX3RHEB

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
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed