SCHEMBL28008657

SCHEMBL28008657

O=C(O)N[CH]c1nc(-c2ccc(F)cc2)no1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 2/20 0.55
SENP8 Q96LD8 2/20 0.55
SENP7 Q9BQF6 2/20 0.55
SENP6 Q9GZR1 1/20 0.51
TPH1 P17752 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC8 Q9BY41 3/20 0.43
HDAC2 Q92769 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL6367462 0.73 CASP3 (0.60) CASP3SENP8SENP7SENP6TPH1
SCHEMBL4798828 0.72 TPH1 (0.50) CASP3SENP8SENP7SENP6TPH1
SCHEMBL11711449 0.71 TPH1 (0.56) TPH1HDAC1HDAC8HDAC2MAPT
SCHEMBL1505380 0.70 TPH1 (0.61) TPH1HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL8163626 0.70 TPH1 (0.61) TPH1HDAC1NPC1RAB9ASMN1; SMN2
SCHEMBL24989003 0.70 HDAC4 (0.50) TPH1HDAC1HDAC8HDAC2NPC1
SCHEMBL28816242 0.69 KMT2A (0.53) CASP3SENP8SENP7SENP6TPH1
SCHEMBL27683231 0.69 BCL2L1 (0.62) TPH1HDAC1MAPTNPC1RAB9A
SCHEMBL14814209 0.68 KMT2A (0.49) CASP3SENP8SENP7TPH1HDAC1
SCHEMBL4127648 0.68 KMT2A (0.46) CASP3SENP8SENP7TPH1HDAC1

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
CN-102369200-B Derivatives of azaspiranyl-alkylcarbamates of 5-member heterocyclic compounds, preparation thereof and therapeutic use thereof SANOFI SA 2015-05-20 CN disclosed