SCHEMBL21852297

SCHEMBL21852297

CC(C)Sc1ccnc2ccccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.46
SLC22A12 Q96S37 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
ELANE P08246 1/20 0.41
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
BCAT2 O15382 1/20 0.38
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 2/20 0.37
PTK2B Q14289 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL20570896 0.87 MAPT (0.47) NCF1SLC22A12ELANEMAPTKDM4E
SCHEMBL7053633 0.79 NCF1 (0.50) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL6248338 0.76 NCF1 (0.47) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL21082253 0.75 NCF1 (0.50) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL2816694 0.74 LOXL2 (0.47) NCF1SLC22A12LOXL2ELANEHTR1A
SCHEMBL13601938 0.72 HTR1A (0.43) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL826018 0.71 NCF1 (0.50) NCF1LOXL2HTR1AADRA1DADRA1A
SCHEMBL2333890 0.69 HTR1A (0.47) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL8908139 0.69 HTR1A (0.47) NCF1SLC22A12LOXL2HTR1AADRA1D
SCHEMBL2116696 0.68 IFNAR1 (0.43) ELANEMAPTCYP1A2CYP2C9CYP2C19

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-2020072656-A1 IMIDOZOPYRIMIDINE DERIVATIVES GILEAD SCIENCES, INC. (US) 2020-04-09 WO disclosed