SCHEMBL19984794

SCHEMBL19984794

COc1ccccc1-c1nnc([C@H](CC(N)=O)NCc2cnn(C)c2)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
THRB P10828 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
TP53 P04637 2/20 0.37
GLA P06280 2/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19984783 0.92 CTSA (0.42) KMT2AALDH1A1PDE1APDE1BPDE1C
SCHEMBL19984816 0.87 ADAMTS4 (0.41) KMT2AJAK2JAK1TYK2JAK3
SCHEMBL19984800 0.86 PDE1A (0.41) KMT2AALDH1A1PDE1APDE1BPDE1C
SCHEMBL19984806 0.77 KMT2A (0.41) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL19984807 0.75 TP53 (0.43) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL19984784 0.74 PTK2 (0.47) KMT2AALDH1A1PDE1APDE1BPDE1C
SCHEMBL19984813 0.74 KMT2A (0.42) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL19984971 0.73 ADAMTS4 (0.45) KMT2AALDH1A1SMN1; SMN2HPGDNPC1
SCHEMBL19984787 0.73 VDR (0.46) KMT2AALDH1A1SMN1; SMN2HPGDTHRB
SCHEMBL19866358 0.73 VSIR (0.48) KMT2AALDH1A1SMN1; SMN2HPGDNPC1

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed