SCHEMBL10440318

SCHEMBL10440318

Cc1cc(F)c(N2C(=O)C3CCCCN3C2=O)cc1O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.45
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 3/20 0.35
HTT P42858 1/20 0.35
PPOX P50336 1/20 0.34
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL10935874 0.85 AR (0.45) ARKMT2ASMN1; SMN2ALDH1A1PPOX
SCHEMBL9664391 0.85 AR (0.45) ARKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL9382971 0.82 AR (0.42) ARSMN1; SMN2ALDH1A1KDM4ECYP1A2
SCHEMBL10463025 0.80 AR (0.40) ARKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10440314 0.78 AR (0.43) ARKMT2APOLBSMN1; SMN2ALDH1A1
SCHEMBL10440334 0.77 PPOX (0.43) ARKMT2ASMN1; SMN2ALDH1A1PPOX
SCHEMBL10823806 0.77 HPGD (0.42) ARPOLBTSHRSMN1; SMN2PPOX
SCHEMBL10440441 0.77 PPOX (0.41) ARKMT2ASMN1; SMN2PPOX
SCHEMBL9389966 0.76 AR (0.45) ARKMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10940936 0.75 PPOX (0.47) ARKMT2APOLBTSHRSMN1; SMN2

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-0363585-A1 N-aryl nitrogen heterocycles BAYER AG (DE) 1990-04-18 EP disclosed