SCHEMBL9003496

SCHEMBL9003496

CCC(C)[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.O=C(C[B-](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MDM2 Q00987 1/20 0.37
KDM4E B2RXH2 2/20 0.36
SLC6A9 P48067 1/20 0.36
SLC6A5 Q9Y345 1/20 0.36
POLB P06746 2/20 0.36
HTT P42858 1/20 0.36
RAD52 P43351 1/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL8757242 0.78 RAD52 (0.36) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL8757321 0.71 SLC6A3 (0.38) LMNAKMT2AHTTMEN1HPGD
SCHEMBL8757315 0.71 CCR1 (0.36) HTTCES2CES1
SCHEMBL8757654 0.71 MAPT (0.38) ALDH1A1LMNAMAPTL3MBTL1KMT2A
Chlorobenzene SCHEMBL27609008 0.69 MAPT (0.58) TP53ALDH1A1MAPTL3MBTL1KMT2A
Fluorobenzene SCHEMBL27628207 0.69 MAPT (0.58) TP53ALDH1A1LMNAMAPTL3MBTL1
SCHEMBL309451 0.68 LMNA (0.38) TP53LMNAKMT2AMEN1
SCHEMBL8757927 0.68 ALDH1A1 (0.36) ALDH1A1LMNAMAPTL3MBTL1KMT2A
Lithium Ion SCHEMBL9003568 0.67 LMNA (0.37) TP53LMNAKMT2AMEN1
SCHEMBL8757638 0.64 L3MBTL1 (0.46) TP53ALDH1A1LMNAMAPTL3MBTL1

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed