SCHEMBL9003367

SCHEMBL9003367

CC(C)(C)c1ccc([S+](CC(=O)c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CCC(C)[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
NPC1 O15118 4/20 0.35
ALDH1A1 P00352 4/20 0.35
RECQL P46063 1/20 0.35
MAPT P10636 7/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
ESRRG P62508 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
LMNA P02545 3/20 0.32
TP53 P04637 1/20 0.31
HSP90AA1 P07900 1/20 0.31
THRB P10828 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
SCHEMBL9003526 0.93 ALDH1A1 (0.38) RAB9ANPC1ALDH1A1RECQLMAPT
SCHEMBL8757242 0.81 RAD52 (0.36) NPC1ALDH1A1MAPTKMT2AMEN1
SCHEMBL9003615 0.80 RAB9A (0.50) RAB9ANPC1ALDH1A1RECQLMAPT
SCHEMBL8757927 0.74 ALDH1A1 (0.36) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL8757654 0.72 MAPT (0.38) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL9003496 0.70 TP53 (0.39) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL9003474 0.70 L3MBTL1 (0.36) RAB9ANPC1ALDH1A1RECQLMAPT
SCHEMBL8757638 0.68 L3MBTL1 (0.46) RAB9ANPC1ALDH1A1MAPTKMT2A
SCHEMBL9003734 0.68 RAB9A (0.35) RAB9ANPC1ALDH1A1RECQLMAPT
SCHEMBL9003389 0.67

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