SCHEMBL16059173

SCHEMBL16059173

CCC(Sc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1cccc(Br)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
MAPK1 P28482 4/20 0.57
LMNA P02545 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 1/20 0.57
TSHR P16473 4/20 0.57
ALDH1A1 P00352 4/20 0.57
HTT P42858 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 1/20 0.57
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.51
HIF1A Q16665 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADORA2A P29274 1/20 0.50
ADORA1 P30542 1/20 0.50
BRAF P15056 1/20 0.49
CYP3A4 P08684 1/20 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
SCHEMBL16059115 0.92 ALDH1A1 (0.53) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL14238217 0.91 ALDH1A1 (0.52) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL661185 0.90 ALDH1A1 (0.61) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL30361110 0.90 ALDH1A1 (0.61) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL16058565 0.90 LMNA (0.53) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL3372363 0.90 ALDH1A1 (0.60) MAPTMAPK1LMNASMN1; SMN2TSHR
SCHEMBL16058243 0.89 KMT2A (0.53) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL3376398 0.89 ALDH1A1 (0.50) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL16060081 0.88 LMNA (0.61) MAPTMAPK1LMNASMN1; SMN2POLB
SCHEMBL30361173 0.83 ALDH1A1 (0.53) MAPTMAPK1LMNASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2968257-A1 METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION The Johns Hopkins University (US) 2016-01-20 EP disclosed
EP-2968220-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION Agenebio, Inc. (US) 2016-01-20 EP disclosed
WO-2014144546-A1 METHODS AND COMPOSITONS FOR IMPROVING COGNITIVE FUNCTION THE JOHNS HOPKINS UNIVERSITY (US) 2014-09-18 WO disclosed
WO-2014144801-A1 METHODS AND COMPOSITIONS FOR IMPROVING COGNITIVE FUNCTION AGENEBIO INC. (US) 2014-09-18 WO disclosed