SCHEMBL27683406

SCHEMBL27683406

O=C(NC(F)(F)F)c1ccc(Cl)nc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
KCNQ3 O43525 3/20 0.54
KCNQ2 O43526 3/20 0.54
KCNE1 P15382 3/20 0.54
KCNQ1 P51787 3/20 0.54
RAB9A P51151 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
EGFR P00533 2/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
BACE1 P56817 1/20 0.50
KDR P35968 1/20 0.49
NPC1 O15118 2/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL3531806 0.83 GAA (0.61) L3MBTL1NAPRTRAB9ASMN1; SMN2EGFR
SCHEMBL22116958 0.79 TDP1 (0.57) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL1725139 0.78 NAPRT (0.62) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL2090351 0.78 GAA (0.52) L3MBTL1NAPRTRAB9ASMN1; SMN2CACNA1B
SCHEMBL13360508 0.77 NAPRT (0.60) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL103123 0.77 RAB9A (0.61) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL31295356 0.77 NAPRT (0.60) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL2981251 0.77 NAPRT (0.60) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL8848435 0.77 NAPRT (0.60) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1
SCHEMBL931481 0.77 NAPRT (0.60) L3MBTL1NAPRTKCNQ3KCNQ2KCNE1

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
CN-1993339-A Aromatic compound OTSUKA PHARMA CO LTD (JP) 2007-07-04 CN disclosed