SCHEMBL9027633

SCHEMBL9027633

Cc1c(-c2ccc(O)cc2)[nH]c2ccc(O)c(CCCCCCCCCCCCN3CCCCC3)c12

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.43
ESR2 Q92731 8/20 0.43
KIF11 P52732 2/20 0.43
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
DRD2 P14416 1/20 0.39
HRH1 P35367 1/20 0.39
NEK1 Q96PY6 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
KCNH2 Q12809 1/20 0.36
NR1I2 O75469 1/20 0.36

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
SCHEMBL9356958 0.79 NR1I2 (0.40) KIF11HTR2AHTR2CNEK1SIGMAR1
SCHEMBL9028624 0.78 TLR7 (0.42) HTR2AKCNH2
SCHEMBL8790299 0.76 CCNB2 (0.41) ESR1ESR2HTR2CNR1I2
SCHEMBL8790260 0.75 ESR1 (0.39) ESR1ESR2KIF11NR1I2
SCHEMBL8789330 0.74 CCNB2 (0.40) ESR1HTR2CNR1I2
SCHEMBL9028366 0.74 CCNB2 (0.38) KIF11NR1I2
SCHEMBL7692326 0.74 ESR1 (0.43) ESR1ESR2HTR2CNR1I2
SCHEMBL8792445 0.74 CCNB2 (0.38) ESR1KIF11HTR2CNR1I2
SCHEMBL9027686 0.74 ALDH1A1 (0.39) NR1I2
SCHEMBL9027574 0.73 DRD2 (0.39) DRD2

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-0736008-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1996-10-09 EP disclosed
WO-1995017383-A1 INDOLE DERIVATIVES AS ANTI-ESTROGENS KARO BIO AB (SE) 1995-06-29 WO disclosed