SCHEMBL6015569

SCHEMBL6015569

O=C(NCCc1ccccn1)C(=O)NCc1ccc(O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TAS1R3 Q7RTX0 2/20 0.55
TAS1R1 Q7RTX1 2/20 0.55
ERCC1 P07992 5/20 0.49
ERCC4 Q92889 5/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.47
HSD11B1 P28845 1/20 0.47
GAA P10253 1/20 0.47
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL10192960 0.84 SMN1; SMN2 (0.65) SMN1; SMN2TAS1R3TAS1R1KMT2ANPC1
SCHEMBL6015559 0.82 TAS1R3 (0.63) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL701815 0.82 RAB9A (0.65) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL700929 0.81 TAS1R3 (0.65) SMN1; SMN2TAS1R3TAS1R1NPC1RAB9A
SCHEMBL701506 0.80 KDM4E (0.64) MEN1KMT2ANPC1RAB9AMAPK1
SCHEMBL704725 0.79 ALDH1A1 (0.56) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL701487 0.79 NPC1 (0.54) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL704424 0.79 TAS1R3 (0.57) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL12164492 0.78 TAS1R3 (0.56) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A
SCHEMBL701749 0.78 TAS1R3 (0.56) SMN1; SMN2TAS1R3TAS1R1MEN1KMT2A

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
WO-2012054526-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed