SCHEMBL28360382

SCHEMBL28360382

C=CC(OC(=O)OC)c1cc2cc(C)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 9/20 0.43
▸ MAPT P10636 6/20 0.43
▸ TP53 P04637 6/20 0.43
▸ THRB P10828 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ RXFP1 Q9HBX9 2/20 0.40
▸ POLB P06746 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ GFER P55789 1/20 0.37

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
SCHEMBL28586394 0.90 KMO (0.34) LMNAMAPTTP53THRBMEN1
SCHEMBL28363847 0.90 THRB (0.41) LMNAMAPTTP53THRBMEN1
SCHEMBL28360376 0.86 MCL1 (0.49) L3MBTL1KDM4E
SCHEMBL28364142 0.86 RXFP1 (0.43) MEN1KMT2ARXFP1
SCHEMBL28360338 0.85 MCL1 (0.46) MEN1KMT2APOLB
SCHEMBL28364015 0.79 CNR2 (0.31) MEN1KMT2AL3MBTL1TDP1
SCHEMBL28364144 0.77 SLC9A1 (0.41) LMNAMAPTMEN1KMT2AKDM4E
SCHEMBL20465149 0.69 MAPT (0.47) LMNAMAPTTP53THRBMEN1
SCHEMBL26745662 0.68 RXFP1 (0.50) LMNAMAPTTP53THRBMEN1
SCHEMBL7877590 0.68 L3MBTL1 (0.72) LMNAMAPTTP53THRBMEN1

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
CN-110669046-B Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2021-07-06 — — CN disclosed
CN-110669046-A Polysubstituted tetrahydro-gamma-carboline derivative with multiple chiral centers and preparation method of stereo diversity of polysubstituted tetrahydro-gamma-carboline derivative 武汉大学 2020-01-10 — — CN disclosed
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