SCHEMBL9862936

SCHEMBL9862936

Cc1c(O)ccc(C2=NCCO2)c1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.39
ESR2 Q92731 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CNR1 P21554 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HTR1D P28221 1/20 0.31
HTR1B P28222 1/20 0.31
PSMB5 P28074 1/20 0.31
MMP13 P45452 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HPGD P15428 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
SCHEMBL9863065 0.88 ESR1 (0.40) ESR1ESR2SMN1; SMN2HTR1DHTR1B
SCHEMBL28163733 0.77 HPGD (0.43) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL18285031 0.76 SMN1; SMN2 (0.39) ESR1ESR2SMN1; SMN2LMNAMAPT
SCHEMBL9863416 0.75 CYP3A4 (0.36) SMN1; SMN2
SCHEMBL4979332 0.74 ESR1 (0.40) ESR1ESR2SMN1; SMN2LMNAMAPT
SCHEMBL9668468 0.73 ESR2 (0.47) ESR1ESR2SMN1; SMN2MAPTMEN1
SCHEMBL31325259 0.72 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL5734495 0.72 SMN1; SMN2 (0.44) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL11192340 0.71 TRPA1 (0.43) SMN1; SMN2LMNAMAPTKDM4EMEN1
SCHEMBL11802995 0.71 ESR1 (0.46) ESR1ESR2LMNAMAPTKDM4E

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
US-5002960-A Viricides for combating picornaviruses STERLING DRUG, INC. (US) 1991-03-26 US disclosed
US-4939267-A Viricides STERLING DRUG INC. (US) 1990-07-03 US disclosed