SCHEMBL30860978

SCHEMBL30860978

CS(=O)(=O)n1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.44
NOS1 P29475 1/20 0.41
CREBBP Q92793 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HTT P42858 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MITF O75030 1/20 0.40
LMNA P02545 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
GAA P10253 2/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL27227871 1.00 TDP1 (0.44) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL27227809 0.86 PKM (0.43) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL27228485 0.85 TDP1 (0.41) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL27227986 0.82 TDP1 (0.41) TDP1NOS1ALDH1A1HTTCYP1A2
SCHEMBL30860946 0.79 DCTPP1 (0.37) TDP1NOS1ALDH1A1HTTCYP1A2
SCHEMBL27227891 0.79 DCTPP1 (0.37) TDP1NOS1ALDH1A1HTTCYP1A2
SCHEMBL618730 0.78 TDP1 (0.50) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL4555832 0.78 TDP1 (0.50) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL29687237 0.78 TDP1 (0.50) TDP1NOS1CREBBPALDH1A1HTT
SCHEMBL30410440 0.78 TDP1 (0.50) TDP1NOS1CREBBPALDH1A1HTT

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-2024073073-A2 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-04-04 WO disclosed