SCHEMBL28616092

SCHEMBL28616092

Clc1ccc(Cn2ccc3ccccc32)cn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
HTR6 P50406 1/20 0.60
PLAU P00749 1/20 0.54
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC10 Q969S8 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HDAC9 Q9UKV0 1/20 0.51
PPARG P37231 1/20 0.51
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA4 P43681 1/20 0.50
CDK4 P11802 1/20 0.47
CCND1 P24385 1/20 0.47

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
SCHEMBL2247137 0.80 HTR6 (0.72) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL29459650 0.80 HTR6 (0.72) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL29509279 0.78 HTR6 (0.73) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL31021 0.78 HTR6 (0.73) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL20531428 0.76 KMT2A (0.61) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL11974983 0.76 KMT2A (0.61) KMT2AHTR6LMNAL3MBTL1HDAC1
SCHEMBL257765 0.76 HTR6 (0.70) KMT2AHTR6PLAULMNAHDAC1
SCHEMBL6087734 0.76 HTR6 (0.70) KMT2AHTR6PLAUL3MBTL1HDAC1
SCHEMBL6085799 0.76 HTR6 (0.70) KMT2AHTR6PLAUHDAC1HDAC2
SCHEMBL21335591 0.76 HTR6 (0.70) KMT2AHTR6PLAUHDAC1HDAC2

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-108530335-B Indole compound and preparation method and application thereof 华南农业大学 2021-08-31 CN disclosed