SCHEMBL14396802

SCHEMBL14396802

CCOc1nn(C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 5/20 0.35
MPO P05164 1/20 0.33
PDE4B Q07343 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1A P54750 1/20 0.32
PDE1B Q01064 1/20 0.32
PDE1C Q14123 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL26755350 0.81 LRRK2 (0.34) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL14649902 0.80 PDE4D (0.36) PDE4DMPOPDE4BMEN1KMT2A
SCHEMBL12806686 0.80 MAP3K5 (0.30) CYP2C9
SCHEMBL24752581 0.80 KCNJ5 (0.32)
SCHEMBL22057302 0.79 ADORA1 (0.37) PDE4DMPOPDE4BPDE1APDE1B
SCHEMBL18371894 0.79 SMN1; SMN2 (0.33) PDE4DMPOPDE4BPDE1APDE1B
SCHEMBL25159793 0.79 ALDH1A1 (0.47) ALDH1A1HRH4ADORA3ADORA2AADORA1
SCHEMBL15884466 0.74 NPC1 (0.44) PDE4DPDE4BMEN1KMT2ANPC1
SCHEMBL12806591 0.74 PDE4D (0.37) PDE4DPDE4BMEN1KMT2ANPC1
SCHEMBL18418865 0.74 PDE4D (0.35) PDE4DPDE4BMEN1KMT2APDE1A

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-2007113327-A2 FUNGICIDE N-CYCLOPROPYL-SULFONYLAMIDE DERIVATIVES BAYER CROPSCIENCE SA (FR) 2007-10-11 WO disclosed