SCHEMBL20787969

SCHEMBL20787969

Clc1ccc2c(c1)c(I)cn2C1CCc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNA3 P22001 1/20 0.46
▸ KRAS P01116 2/20 0.45
▸ P2RX7 Q99572 2/20 0.39
▸ FADS1 O60427 1/20 0.38
▸ CTSD P07339 1/20 0.38
▸ EED O75530 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ SLC5A2 P31639 1/20 0.34
▸ CHRNA7 P36544 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.33
▸ GPR84 Q9NQS5 1/20 0.33
▸ PRCP P42785 1/20 0.33
▸ AHR P35869 1/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32

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
SCHEMBL20787985 0.85 KCNA3 (0.48) KCNA3P2RX7FADS1CTSDEED
SCHEMBL20769734 0.78 KCNA3 (0.46) KCNA3CNR2SLC5A2PTGDR2
SCHEMBL1003810 0.63 ADRA1D (0.47) P2RX7
SCHEMBL1004033 0.63 ADRA1D (0.47) P2RX7
SCHEMBL1003289 0.63 ADRA1D (0.47) P2RX7
SCHEMBL4472221 0.61 CTSD (0.37) P2RX7CTSDCHRNA7CYP11B2GPR84
SCHEMBL8613906 0.61 CHRNA7 (0.40) KCNA3P2RX7CHRNA7CYP11B2GPR84
SCHEMBL8189290 0.60 CHRNA7 (0.49) P2RX7CHRNA7CYP11B2SIGMAR1GPR84
SCHEMBL6055981 0.60 FADS1 (0.45) FADS1CYP11B2SIGMAR1PRCPKDM1A
SCHEMBL6390037 0.60 HTR2A (0.52) FADS1CTSDPRCPKDM1AMAOA

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-2019046668-A1 AMIDE SUBSTITUTED THIAZOLES AS PROTEIN SECRETION INHIBITORS KEZAR LIFE SCIENCES (US) 2019-03-07 — — WO disclosed
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