SCHEMBL17029113

SCHEMBL17029113

C/C(=N\NC(=O)c1ccc(C(=O)O)c(C)c1)c1nn(C)c(-c2ccc(C(F)(F)F)cc2)c1O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.48
GRM5 P41594 1/20 0.41
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
MYC P01106 2/20 0.40
SCN9A Q15858 1/20 0.39
MAPT P10636 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
RAB9A P51151 3/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
NPC1 O15118 1/20 0.35
ESRRG P62508 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
SCHEMBL13003474 0.91 MTOR (0.41) MTORGRM5MYCSCN9AMAPT
SCHEMBL1483834 0.90 MTOR (0.43) MTORGRM5SCN9AMAPTSMN1; SMN2
SCHEMBL12829637 0.90 MTOR (0.43) MTORGRM5SCN9AMAPTSMN1; SMN2
SCHEMBL1483831 0.90 MTOR (0.43) MTORGRM5SCN9AMAPTSMN1; SMN2
SCHEMBL1483443 0.88 ALDH1A1 (0.42) MTORGRM5MYCSCN9AMAPT
SCHEMBL12829594 0.88 ALDH1A1 (0.42) MTORGRM5MYCSCN9AMAPT
SCHEMBL1483445 0.88 ALDH1A1 (0.42) MTORGRM5MYCSCN9AMAPT
SCHEMBL12829654 0.87 MTOR (0.46) MTORGRM5SCN9AMAPTSMN1; SMN2
SCHEMBL12755600 0.87 GRM5 (0.46) MTORGRM5MAPTSMN1; SMN2RAB9A
SCHEMBL12755834 0.86 KDM2B (0.40) MTORGRM5SCN9AMAPTKDM2B

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
US-9115341-B2 Method for expanding hematopoietic stem cells using heterocyclic compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2015-08-25 US disclosed