SCHEMBL22521646

SCHEMBL22521646

CCCCCOc1cc(N=O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.57
CHUK O15111 1/20 0.52
DAPK3 O43293 1/20 0.52
JAK2 O60674 1/20 0.52
ROCK2 O75116 1/20 0.52
PRKCG P05129 1/20 0.52
CDK1 P06493 1/20 0.52
PIM1 P11309 1/20 0.52
RPS6KB1 P23443 1/20 0.52
CDK2 P24941 1/20 0.52
AKT1 P31749 1/20 0.52
AKT2 P31751 1/20 0.52
MAPKAPK2 P49137 1/20 0.52
BLK P51451 1/20 0.52
RPS6KA3 P51812 1/20 0.52
JAK3 P52333 1/20 0.52
LIMK1 P53667 1/20 0.52
PRKCZ Q05513 1/20 0.52
PRKCD Q05655 1/20 0.52
PAK1 Q13153 1/20 0.52

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
SCHEMBL8611330 1.00 SMPD1 (0.57) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL8974027 0.80 SMPD1 (0.58) SMPD1PDE4BPDE4APDE4CPDE4D
SCHEMBL8587456 0.79 THRA (0.50) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL279706 0.79 HTR3E (0.59) PDE4ALMNAMAPTMAPK1
SCHEMBL8587460 0.78 PRSS1 (0.50) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL24305898 0.78 SMPD1 (0.56) SMPD1PDE4BTHRATHRBC5
SCHEMBL9698395 0.78 SMPD1 (0.59) SMPD1PDE4BCNR2THRATHRB
SCHEMBL8974122 0.78 SMPD1 (0.56) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL7994834 0.77 SMPD1 (0.54) SMPD1PDE4BTHRATHRBPDE3B
SCHEMBL13352265 0.77 FDPS (0.67) SMPD1PDE4BCNR2LMNAMAPT

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-2020205501-A1 COMPLEMENT MODULATORS AND RELATED METHODS RA PHARMACEUTICALS, INC. (US) 2020-10-08 WO disclosed