SCHEMBL9003560

SCHEMBL9003560

CC[B-](CC)(CC)C(C)(C)C.Cc1ccc(C[S+](c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
CNR2 P34972 3/20 0.31
CYP2C19 P33261 2/20 0.31
HTT P42858 1/20 0.31
HRH1 P35367 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
ALOX12 P18054 1/20 0.30
ACHE P22303 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
SCHEMBL8757480 0.73 TP53 (0.38) LMNACYP1A2CYP3A4TDP1TSHR
SCHEMBL1127586 0.71 TSHR (0.46) SMN1; SMN2TDP1HPGDTSHRALOX12
SCHEMBL2329263 0.69 LTA4H (0.57) HTTTDP1L3MBTL1TP53
Hydrochloric Acid SCHEMBL1042662 0.69 TSHR (0.43) SMN1; SMN2TDP1HPGDTSHRALOX12
SCHEMBL5693416 0.68 TSHR (0.39) SMN1; SMN2TDP1L3MBTL1HPGDTSHR
SCHEMBL29285347 0.67 LMNA (0.40) LMNAPOLBSMN1; SMN2CNR2CYP2C19
SCHEMBL2325029 0.66 ALDH1A1 (0.42) HTTTDP1L3MBTL1TSHR
SCHEMBL2323147 0.66 SIGMAR1 (0.44) MEN1KMT2ACYP1A2TDP1L3MBTL1
SCHEMBL2323723 0.66 RAB9A (0.44) NPC1RAB9ALMNAPOLBMEN1
SCHEMBL9003632 0.66 SLC6A4 (0.39) LMNAHPGDTP53

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