SCHEMBL9846465

SCHEMBL9846465

C=C(C)COC(C)c1cc([N+](=O)[O-])cc(C=S)c1O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.37
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 5/20 0.32
MAPT P10636 4/20 0.32
GALR3 O60755 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
GPR35 Q9HC97 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30
RECQL P46063 1/20 0.30
SAE1 Q9UBE0 1/20 0.30
UBA2 Q9UBT2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL8553666 0.76 ERN1 (0.39) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8553675 0.68 ERN1 (0.38) ERN1HTTLMNAMEN1KMT2A
SCHEMBL9033065 0.68 MEN1 (0.43) ERN1HTTLMNAMEN1KMT2A
SCHEMBL10838147 0.67 ERN1 (0.75) ERN1HTTLMNAMEN1KMT2A
SCHEMBL9846472 0.67 ERN1 (0.36) ERN1HTTLMNAMEN1KMT2A
SCHEMBL1300813 0.66 ERN1 (0.59) ERN1HTTLMNAMEN1KMT2A
SCHEMBL10645211 0.65 GPR35 (0.59) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8125144 0.65 ERN1 (0.51) ERN1HTTLMNAMEN1KMT2A
SCHEMBL8555674 0.64 SMN1; SMN2 (0.33) ERN1HTTLMNAALDH1A1MAPT
SCHEMBL6978784 0.62 MEN1 (0.55) HTTLMNAMEN1KMT2ATDP1

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-0411157-A1 SPIROPYRAN COMPOUNDS OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1991-02-06 EP disclosed