SCHEMBL11745839

SCHEMBL11745839

CCCCCCCCCCOc1cc(N=Nc2ccccc2)ccc1O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 1/20 0.51
CHUK O15111 1/20 0.49
DAPK3 O43293 1/20 0.49
JAK2 O60674 1/20 0.49
ROCK2 O75116 1/20 0.49
PRKCG P05129 1/20 0.49
CDK1 P06493 1/20 0.49
PIM1 P11309 1/20 0.49
RPS6KB1 P23443 1/20 0.49
CDK2 P24941 1/20 0.49
AKT1 P31749 1/20 0.49
AKT2 P31751 1/20 0.49
MAPKAPK2 P49137 1/20 0.49
BLK P51451 1/20 0.49
RPS6KA3 P51812 1/20 0.49
JAK3 P52333 1/20 0.49
LIMK1 P53667 1/20 0.49
PRKCZ Q05513 1/20 0.49
PRKCD Q05655 1/20 0.49
PAK1 Q13153 1/20 0.49

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
SCHEMBL11745835 1.00 SMPD1 (0.51) SMPD1CHUKDAPK3JAK2ROCK2
SCHEMBL11753814 0.85 KMT2A (0.51) MEN1KMT2AGAAL3MBTL1HSP90AA1
SCHEMBL11753810 0.85 KMT2A (0.51) MEN1KMT2AGAAL3MBTL1HSP90AA1
SCHEMBL15249764 0.83 PPARG (0.51) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL28477113 0.83 PPARG (0.51) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL28482952 0.83 PPARG (0.51) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL29240439 0.83 PPARG (0.51) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL11748717 0.83 CHUK (0.49) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL29032672 0.83 PPARG (0.51) CHUKDAPK3JAK2ROCK2PRKCG
SCHEMBL11748722 0.83 CHUK (0.49) CHUKDAPK3JAK2ROCK2PRKCG

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
US-4035423-A Process for the preparation of 3,4-dialkoxyanilines CIBA-GEIGY CORPORATION (US) 1977-07-12 US disclosed