SCHEMBL19984800

SCHEMBL19984800

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 2/20 0.41
PDE1B Q01064 2/20 0.41
PDE1C Q14123 2/20 0.41
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
EGFR P00533 1/20 0.37
KDM4E B2RXH2 3/20 0.37
HDAC6 Q9UBN7 1/20 0.37
ALDH1A1 P00352 5/20 0.36
HPGD P15428 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ABCB1 P08183 1/20 0.35

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
SCHEMBL19984816 0.87 ADAMTS4 (0.41) PDE1APDE1BPDE1CKMT2ASMN1; SMN2
SCHEMBL19984783 0.86 CTSA (0.42) PDE1APDE1BPDE1CKMT2ASMN1; SMN2
SCHEMBL19984794 0.86 KMT2A (0.41) PDE1APDE1BPDE1CKMT2ASMN1; SMN2
SCHEMBL19984784 0.78 PTK2 (0.47) PDE1APDE1BPDE1CKMT2ASMN1; SMN2
SCHEMBL19984981 0.63 CYP1A2 (0.40) SMN1; SMN2KDM4EALDH1A1HPGDGAA
SCHEMBL19984806 0.62 KMT2A (0.41) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19984813 0.62 KMT2A (0.42) KMT2ASMN1; SMN2ALDH1A1HPGDGLA
SCHEMBL19984798 0.62 CTSA (0.47) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19984807 0.61 TP53 (0.43) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL19984799 0.61 KMT2A (0.43) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD

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