SCHEMBL8720843

SCHEMBL8720843

C=CCc1ccc(B(O)O)nc1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
SRD5A1 P18405 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 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
SCHEMBL8716156 0.67
SCHEMBL8716221 0.67
SCHEMBL8259600 0.64 GABRA1 (0.52) GABRA1GABRB2SRD5A1ESR1ESR2
SCHEMBL23685407 0.63 GABRA1 (0.46) GABRA1GABRB2L3MBTL1MEN1ALDH1A1
SCHEMBL5450147 0.62 GABRA1 (0.53) GABRA1GABRB2L3MBTL1MEN1ALDH1A1
SCHEMBL69697 0.62 TYR (0.58) GABRA1GABRB2MEN1ALDH1A1KMT2A
SCHEMBL1230588 0.62 GABRA1 (0.36) GABRA1GABRB2
SCHEMBL17472450 0.62 GABRA1 (0.36) GABRA1GABRB2SRD5A1
SCHEMBL15676646 0.61 GABRA1 (0.64) GABRA1GABRB2L3MBTL1MEN1ALDH1A1
SCHEMBL1006107 0.61 XDH (0.70) GABRA1GABRB2SRD5A1MEN1ALDH1A1

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
US-5847149-A Thiadiazole derivatives, process for their preparation, and their use as precursors for the production of liquid crystals HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed