SCHEMBL30728841

SCHEMBL30728841

Brc1ccc(-n2ccc(-c3ccccc3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
NLRP3 Q96P20 1/20 0.57
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
MEN1 O00255 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
KMT2A Q03164 1/20 0.46
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
COMT P21964 2/20 0.38
FAAH O00519 2/20 0.37
MGLL Q99685 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL20401803 0.90 NPC1 (0.44) NPC1RAB9ANLRP3ALDH1A1MAPK1
SCHEMBL14007395 0.86 COMT (0.48) NPC1RAB9ANLRP3ALDH1A1MEN1
SCHEMBL7452815 0.82 ALDH1A1 (0.48) NPC1RAB9ANLRP3ALDH1A1MAPK1
SCHEMBL17267004 0.81 COMT (0.48) NPC1RAB9ANLRP3ALDH1A1MEN1
SCHEMBL30149589 0.77 CYP1A2 (0.50) NPC1RAB9AMEN1ALOX15TSHR
SCHEMBL28792371 0.77 TP53 (0.43) NPC1RAB9AMEN1ALOX15TSHR
SCHEMBL17267006 0.76 COMT (0.56) NPC1RAB9ANLRP3ALDH1A1MEN1
SCHEMBL28092437 0.73 CYP1A2 (0.52) NPC1RAB9AALDH1A1MEN1ALOX15
SCHEMBL28947028 0.73 COMT (0.48) NPC1RAB9ANLRP3ALDH1A1MAPK1
SCHEMBL25374262 0.71 ALDH1A1 (1.00) NPC1RAB9AALDH1A1MAPK1NFKB1

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
CN-116998024-A Boron-containing cyclic light-emitting compound and color conversion film comprising same 日东电工株式会社 2023-11-03 CN disclosed