SCHEMBL8966469

SCHEMBL8966469

CN(C)B(Br)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ORAI1 Q96D31 3/20 0.38
ORAI2 Q96SN7 3/20 0.38
ORAI3 Q9BRQ5 3/20 0.38
TRPV6 Q9H1D0 3/20 0.38
CA4 P22748 2/20 0.38
PCSK9 Q8NBP7 2/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
ENPP2 Q13822 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
KCNN4 O15554 1/20 0.33
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31

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
SCHEMBL6436492 0.72 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL6441579 0.72 ORAI1 (0.41) ORAI1ORAI2ORAI3TRPV6CA4
Trimethylammonium SCHEMBL8966904 0.69 ORAI1 (0.43) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL9856793 0.69
SCHEMBL8966998 0.68 ORAI1 (0.42) ORAI1ORAI2ORAI3TRPV6CA4
Water SCHEMBL27661286 0.68 ORAI1 (0.38) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL2222360 0.67 TRPV6 (0.47) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL115344 0.67
Fluoride SCHEMBL28319615 0.65 TRPV6 (0.45) ORAI1ORAI2ORAI3TRPV6CA4
SCHEMBL7635226 0.65 ORAI1 (0.39) ORAI1ORAI2ORAI3TRPV6CA4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519496-B1 Thermosetting copolymers, silicon carbide-based fiber and processes for producing same TONEN CORP (JP) 1996-05-22 EP disclosed
EP-0404503-B1 Boron-containing, silicon nitride-based ceramic shaped body production process TONEN CORP (JP) 1996-03-06 EP disclosed
EP-0389084-B1 Process for producing a polyborosilazane TONEN CORP (JP) 1995-09-20 EP disclosed
US-5292830-A Silane, silazane, boron block crosslinked copolymers TONEN CORPORATION (JP) 1994-03-08 US disclosed
EP-0519496-A1 Thermosetting copolymers, silicon carbide-based fiber and processes for producing same Tonen Corporation (JP) 1992-12-23 EP disclosed
US-5128286-A BORON-CONTAINING, SILICON NITRIDE-BASED CERAMIC SHAPED BODY TONEN CORPORATION (JP) 1992-07-07 US disclosed
US-5030744-A Polyborosilazane and process for producing same TONEN CORPORATION (JP) 1991-07-09 US disclosed
EP-0404503-A1 Boron-containing, silicon nitride-based ceramic shaped body production process Tonen Corporation (JP) 1990-12-27 EP disclosed
EP-0389084-A2 Process for producing a polyborosilazane Tonen Corporation (JP) 1990-09-26 EP disclosed