SCHEMBL3866491

SCHEMBL3866491

Cc1cc(C2=CC=CCC2=S)nc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.45
BACE1 P56817 1/20 0.43
AHR P35869 1/20 0.42
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 7/20 0.41
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 2/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
HCRTR1 O43613 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ACHE P22303 1/20 0.40
POLB P06746 1/20 0.38
MIF P14174 1/20 0.38

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
SCHEMBL5578619 0.75
SCHEMBL1088580 0.75 CYP1A2 (0.69) CYP1A2BACE1AHRKDM4EALDH1A1
Bromide SCHEMBL4396731 0.71 CYP1A2 (0.64) CYP1A2BACE1AHRKDM4EALDH1A1
Iodide SCHEMBL4544205 0.71 CYP1A2 (0.64) CYP1A2BACE1AHRKDM4EALDH1A1
Hydrochloric Acid SCHEMBL4384053 0.71 CYP1A2 (0.64) CYP1A2BACE1AHRKDM4EALDH1A1
SCHEMBL951744 0.70 MAPT (0.65) CYP1A2BACE1AHRKDM4EALDH1A1
SCHEMBL670646 0.70 CYP1A2 (0.62) CYP1A2BACE1AHRKDM4EALDH1A1
SCHEMBL30946935 0.69 ALDH1A1 (0.63) CYP1A2BACE1AHRKDM4EALDH1A1
SCHEMBL6859623 0.69 ALDH1A1 (0.63) CYP1A2BACE1AHRKDM4EALDH1A1
SCHEMBL30388558 0.69 ALDH1A1 (0.63) CYP1A2BACE1AHRKDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7560176-B2 Light-emitting element and iridium complex CHI MEI OPTOELECTRONICS CORP. (TW) 2009-07-14 US disclosed
US-20050025995-A1 Light-emitting element and iridium complex Innolux Corporation (TW) 2005-02-03 US disclosed