SCHEMBL28062090

SCHEMBL28062090

Cc1oc(-c2ccccc2)nc1C(=O)NCCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.58
GAA P10253 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.55
TARBP2 Q15633 3/20 0.54
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
RAB9A P51151 1/20 0.54
MAPT P10636 3/20 0.50
LMNA P02545 1/20 0.50
SLC9A1 P19634 1/20 0.50
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
FFAR1 O14842 1/20 0.46
EGLN2 Q96KS0 2/20 0.44

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
SCHEMBL11623824 0.88 KDM4E (0.60) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL11621817 0.86 KDM4E (0.57) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL11623041 0.85 KDM4E (0.56) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL28309288 0.84 SMN1; SMN2 (0.49) KDM4EGAASMN1; SMN2ALDH1A1POLB
SCHEMBL28875274 0.84 EGLN1 (0.44) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL11623795 0.83 GAA (0.60) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL11624794 0.83 KDM4E (0.57) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL17266779 0.82 EGLN1 (0.43) KDM4EGAATARBP2ALDH1A1LMNA
SCHEMBL11619063 0.82 KDM4E (0.65) KDM4EGAASMN1; SMN2TARBP2ALDH1A1
SCHEMBL11620390 0.82 MAPT (0.64) KDM4EGAASMN1; SMN2TARBP2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103827097-B 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2016-03-16 CN claimed
CN-105646362-B 3- heteroaroylamino-propanoic derivatives and its purposes as drug 赛诺菲 2019-07-05 CN disclosed
CN-103827097-B 3-heteroaroylamino-propionic acid derivatives and their use as pharmaceuticals SAI NUOFEI (FR) 2016-03-16 CN disclosed