SCHEMBL8887364

SCHEMBL8887364

CCN(Cc1ccccc1)C1=CCC(=[N+]=[N-])C=C1.F[B-](F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
CNR2 P34972 5/20 0.35
NR1H2 P55055 2/20 0.34
NR1H3 Q13133 2/20 0.34
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MGLL Q99685 1/20 0.31
CYP2C19 P33261 1/20 0.31
KDM4E B2RXH2 3/20 0.31
LMNA P02545 3/20 0.30
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CNR1 P21554 1/20 0.30
MITF O75030 1/20 0.30
HPGD P15428 1/20 0.30
RAD52 P43351 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
SCHEMBL8496529 0.95 TSHR (0.45) TSHRCNR2NR1H2NR1H3ALDH1A1
Bromide SCHEMBL9169395 0.94 TSHR (0.44) TSHRCNR2NR1H2NR1H3ALDH1A1
Hydrochloric Acid SCHEMBL9172317 0.94 TSHR (0.44) TSHRCNR2NR1H2NR1H3ALDH1A1
Hydrochloric Acid SCHEMBL11410885 0.92 TSHR (0.43) TSHRCNR2NR1H2NR1H3ALDH1A1
SCHEMBL8887363 0.90 TSHR (0.39) TSHRCNR2NR1H2NR1H3ALDH1A1
Sulfuric Acid SCHEMBL9170625 0.88 TSHR (0.39) TSHRCNR2NR1H2NR1H3ALDH1A1
SCHEMBL8003015 0.87 TSHR (0.35) TSHRALDH1A1MGLLCYP2C19LMNA
SCHEMBL2194983 0.85
SCHEMBL9340240 0.82 AOC3 (0.39) TSHRCNR2NR1H2NR1H3
SCHEMBL8987977 0.81

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-5642209-A FOR EXPOSING A PHOTOSENSITIVE SUBSTRATE BAKER KENNETH M (US) 1997-06-24 US disclosed
EP-0613028-A2 Directional light filter and holographic projector system for its production Baker, Kenneth M. (US) 1994-08-31 EP disclosed