SCHEMBL4229101

SCHEMBL4229101

CCN(CC)CCC(NC(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
RAB9A P51151 4/20 0.39
PKM P14618 2/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.37
UTS2R Q9UKP6 1/20 0.36

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
SCHEMBL4219712 0.90 UTS2R (0.39) ALDH1A1GAASMN1; SMN2RAB9APKM
SCHEMBL3218525 0.89 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2RAB9APKMNPC1
SCHEMBL4225149 0.88 HDAC1 (0.50) ALDH1A1GAASMN1; SMN2RAB9APKM
SCHEMBL4234564 0.87 UTS2R (0.40) ALDH1A1SMN1; SMN2RAB9ANPC1MEN1
SCHEMBL4234963 0.85 KIT (0.40) RAB9AMAPTMEN1KMT2AHDAC1
SCHEMBL3234241 0.85 RAB9A (0.42) ALDH1A1SMN1; SMN2RAB9APKMNPC1
SCHEMBL3229690 0.84 RAB9A (0.40) ALDH1A1SMN1; SMN2RAB9APKMNPC1
SCHEMBL3223205 0.83 TMEM97 (0.39) HDAC1UTS2R
SCHEMBL3230263 0.82 MCHR1 (0.41) SMN1; SMN2RAB9ANPC1MAPTMEN1
SCHEMBL3234623 0.82 TMEM97 (0.39) HDAC1UTS2R

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
EP-2133339-A1 NOVEL (2-AMINOPHENYL)PYRIDINECARBOXAMIDE DERIVATIVE HAVING UREA STRUCTURE Santen Pharmaceutical Co., Ltd (JP) 2009-12-16 EP disclosed