SCHEMBL14920872

SCHEMBL14920872

COc1cc(NC(=O)C(C)O)ccn1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SORT1 Q99523 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
KCNB1 Q14721 1/20 0.47
CNR1 P21554 1/20 0.44
ROCK2 O75116 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
SCN10A Q9Y5Y9 3/20 0.42
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
ACACB O00763 1/20 0.40
RPS6KA2 Q15349 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
MEN1 O00255 2/20 0.40
PABPC1 P11940 1/20 0.40
FAAH O00519 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
SCHEMBL19308468 0.89 KCNB1 (0.56) SORT1KCNK3KCNK9KCNB1CNR1
SCHEMBL16596227 0.84 HSD17B10 (0.52) SORT1KCNK3KCNK9KCNB1CNR1
SCHEMBL13036336 0.81 SORT1 (0.52) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL15880285 0.81 SORT1 (0.55) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL30846618 0.80 IDO1 (0.46) SORT1KCNK3KCNK9KCNB1HDAC4
SCHEMBL30930477 0.80 SORT1 (0.51) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL20310370 0.80 SORT1 (0.51) SORT1KCNK3KCNK9CNR1HDAC4
SCHEMBL19116521 0.79 MTNR1B (0.52) SORT1KCNK3KCNK9KMT2AALDH1A1
SCHEMBL19111001 0.77 AAK1 (0.50) SORT1KCNK3KCNK9KCNB1CNR1
SCHEMBL19151039 0.77 KMT2A (0.53) SORT1KCNK3KCNK9CNR1HDAC4

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-2788326-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE Galderma Research & Development (FR) 2014-10-15 EP disclosed
WO-2013064681-A1 N-(PYRID-4-YL)AMIDES AND N-(PYRIMIDIN-4-YL)AMIDES AND THEIR PHARMACEUTICAL AND COSMETIC USE GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-05-10 WO disclosed