SCHEMBL30271385

SCHEMBL30271385

O=[N+]([O-])c1ccc(Cl)nc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
TDP1 Q9NUW8 2/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MERTK Q12866 1/20 0.49
TXNRD1 Q16881 4/20 0.47
GSR P00390 3/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
GPR35 Q9HC97 3/20 0.43
CTSB P07858 2/20 0.41

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
SCHEMBL8710611 1.00 MAPT (0.53) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL29364858 0.81 MAPT (0.50) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL56616 0.81 MAPT (0.50) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL6990761 0.79 MAPT (0.49) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL17434625 0.79 MAPT (0.49) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL9669573 0.78 GPR35 (0.46) MAPTTDP1L3MBTL1HTTTSHR
SCHEMBL11409567 0.78 MAPT (0.47) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL3273393 0.78 TXNRD1 (0.50) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL29392605 0.78 MERTK (0.51) MAPTTDP1POLBL3MBTL1MERTK
SCHEMBL381701 0.78 MERTK (0.51) MAPTTDP1POLBL3MBTL1MERTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4380560-A1 LPAR1 ANTAGONISTS AND USES THEREOF Contineum Therapeutics, Inc. (US) 2024-06-12 EP disclosed
WO-2023014908-A1 LPAR1 ANTAGONISTS AND USES THEREOF Pipeline Therapeutics, Inc. (US) 2023-02-09 WO disclosed