SCHEMBL14012201

SCHEMBL14012201

CNC(=O)CCCC(=O)Nc1ccc2sc3ccccc3c(=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
KDM4E B2RXH2 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 1/20 0.55
HCRTR1 O43613 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
KMT2A Q03164 1/20 0.55
RELA Q04206 1/20 0.55
P2RY12 Q9H244 2/20 0.51
POLB P06746 2/20 0.47
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 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
SCHEMBL5054663 0.89 ALDH1A1 (0.56) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL5054851 0.88 MAPT (0.59) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL14012192 0.86 MAPT (0.51) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL27368087 0.84 KDM4E (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL14012188 0.84 MAPT (0.60) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL5051380 0.80 MAPT (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL22281315 0.79 KDM4E (0.68) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL15226797 0.76 KDM4E (0.58) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL87136 0.75 KDM4E (0.62) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL5575131 0.74 KDM4E (0.47) MAPTKDM4ESMN1; SMN2ALDH1A1NPC1

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
US-20080293153-A1 Photolabile System with Instantaneous Fluorescence Reporting Function COLORADO SEMINARY, WHICH OWNS AND OPERATES THE UNIVERSITY OF DENVER 2008-11-27 US disclosed