SCHEMBL23966567

SCHEMBL23966567

O=C(O)Cc1nn(CCCO)c(=O)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.68
AKR1B1 P15121 14/20 0.60
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.56
ALOX15 P16050 1/20 0.55
PTGDR2 Q9Y5Y4 1/20 0.54
TSHR P16473 1/20 0.53

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
SCHEMBL10007138 0.84 MAPT (0.79) MAPTAKR1B1KMT2APOLBALOX15
SCHEMBL23966572 0.84 RECQL (0.57) MAPTAKR1B1KMT2APOLBALOX15
SCHEMBL9327258 0.84 MAPT (0.78) MAPTAKR1B1KMT2APOLBALOX15
SCHEMBL6890822 0.81 MAPT (1.00) MAPTAKR1B1KMT2APOLBALOX15
SCHEMBL8957310 0.80 KMT2A (0.77) MAPTAKR1B1KMT2APTGDR2TSHR
SCHEMBL11172701 0.78 MAPT (0.61) MAPTAKR1B1KMT2APOLB
SCHEMBL23914950 0.78 MAPT (0.61) MAPTAKR1B1KMT2APOLB
SCHEMBL15597471 0.78 MAPT (0.68) MAPTKMT2APOLBTSHR
SCHEMBL8128443 0.78 MAPT (0.68) MAPTAKR1B1KMT2APOLBALOX15
SCHEMBL8957218 0.78 MAPT (0.68) MAPTAKR1B1KMT2APOLBALOX15

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed