SCHEMBL9398221

SCHEMBL9398221

O=C(O)CC[C@@H](CNC(=O)CSC(=O)c1ccccc1)NC(=O)CSC(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.53
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MME P08473 1/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLA2G2A P14555 1/20 0.37
NAALAD2 Q9Y3Q0 2/20 0.36
GGH Q92820 1/20 0.36
GAA P10253 1/20 0.36
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
NR4A2 P43354 1/20 0.34

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
SCHEMBL7716214 1.00 GPR139 (0.53) GPR139KMT2AALDH1A1MAPTMME
SCHEMBL8725848 0.87 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTMME
SCHEMBL8723479 0.81 GPR139 (0.52) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL6381157 0.79 GPR139 (0.58) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8123492 0.78 KMT2A (0.54) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8127118 0.77 GPR139 (0.57) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8596105 0.77 GPR139 (0.56) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL15962938 0.76 GPR139 (0.59) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL17369074 0.74 GPR139 (0.60) GPR139KMT2AALDH1A1MAPTHTT
SCHEMBL8595095 0.74 GPR139 (0.55) GPR139KMT2AALDH1A1MAPTHTT

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-1994022494-A1 RADIOLABELED PLATELET GPIIb/IIIa RECEPTOR ANTAGONISTS AS IMAGING AGENTS FOR THE DIAGNOSIS OF THROMBOEMBOLIC DISORDERS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed