SCHEMBL28899585

SCHEMBL28899585

[Li]c1cccc(-c2ccccc2C)c1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
MYC P01106 1/20 0.37
GAA P10253 1/20 0.37
BRD4 O60885 1/20 0.35
HEXA P06865 1/20 0.35
HEXB P07686 1/20 0.35
IDO1 P14902 2/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 3/20 0.33
CYP3A4 P08684 2/20 0.33
PLA2G7 Q13093 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL3355661 0.81 MYC (0.47) TSHRACHENPC1CASP3RAB9A
SCHEMBL1133067 0.76 MYC (0.56) TSHRACHENPC1CASP3RAB9A
SCHEMBL2277338 0.76 MYC (0.50) TSHRACHENPC1CASP3RAB9A
SCHEMBL8151539 0.76 CYP2A6 (0.43) TSHRACHEMYCCYP1A2CYP3A4
SCHEMBL28899542 0.76 MYC (0.42) TSHRACHEMYCHTR7CYP1A2
SCHEMBL7323816 0.76 TSHR (0.39) TSHRACHENPC1CASP3RAB9A
SCHEMBL197690 0.75 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL30169568 0.75 ACHE (0.64) TSHRACHENPC1CASP3RAB9A
SCHEMBL598761 0.75 TSHR (0.53) TSHRACHENPC1CASP3RAB9A
SCHEMBL30354037 0.75 ACHE (0.64) TSHRACHENPC1CASP3RAB9A

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-115385955-A Tetrabiarylphosphine ligands and transition metal complexes thereof 东莞市均成高新材料有限公司 2022-11-25 CN disclosed