SCHEMBL16401680

SCHEMBL16401680

[CH2]c1cn(Cc2ccccc2F)nn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.51
ALDH1A1 P00352 4/20 0.50
MAPT P10636 2/20 0.50
PKM P14618 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM1A O60341 4/20 0.47
ROCK2 O75116 1/20 0.47
PAK4 O96013 1/20 0.47
PIM1 P11309 1/20 0.47
GSK3B P49841 1/20 0.47
AURKB Q96GD4 1/20 0.47
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
CYP19A1 P11511 1/20 0.43
HSP90AB1 P08238 3/20 0.42
KCNMA1 Q12791 1/20 0.42

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
SCHEMBL16401926 0.81 CA5A (0.57) HDAC1ALDH1A1MAPTPKML3MBTL1
SCHEMBL28794120 0.81 HDAC1 (0.58) HDAC1ALDH1A1MAPTPKML3MBTL1
SCHEMBL16401309 0.80 TYR (0.58) L3MBTL1KDM1AROCK2PIM1GSK3B
SCHEMBL16401305 0.76 CYP19A1 (0.47) ALDH1A1MAPTCYP19A1HSP90AB1KCNMA1
SCHEMBL29113895 0.76 ALDH1A1 (0.47) HDAC1ALDH1A1MAPTPKML3MBTL1
SCHEMBL10434376 0.76 ALDH1A1 (0.47) HDAC1ALDH1A1MAPTPKML3MBTL1
SCHEMBL16401451 0.75 CYP19A1 (0.61) CYP19A1HSP90AB1NPC1RAB9A
SCHEMBL9858144 0.75 CA5A (0.55) HDAC1ALDH1A1MAPTPKML3MBTL1
SCHEMBL16401620 0.75 CD74 (0.46) ROCK2HSP90AB1
SCHEMBL9857405 0.74 CA5A (0.72) HDAC1ALDH1A1MAPTPKML3MBTL1

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-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed