SCHEMBL28501284

SCHEMBL28501284

CCCCCCCCCCCCCCC(CCCCCCCCCCCC)Cc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 1/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CSNK1E P49674 1/20 0.36
MEN1 O00255 1/20 0.36
GAPDH P04406 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL23844741 1.00 L3MBTL1 (0.43) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL28193222 1.00 L3MBTL1 (0.43) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL16863665 1.00 L3MBTL1 (0.43) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL19526473 1.00 L3MBTL1 (0.43) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL2710505 1.00 L3MBTL1 (0.43) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL159871 0.98 TSHR (0.46) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL18400718 0.97 L3MBTL1 (0.42) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL27986203 0.93 TSHR (0.48) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL23688797 0.93 TSHR (0.48) L3MBTL1TSHRGLAHTTCYP2C19
SCHEMBL21608630 0.93 TSHR (0.49) L3MBTL1TSHRGLAHTTCYP2C19

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-111892696-A Dithienobenzene fused ring quinoxaline conjugated polymer and preparation method and application thereof 华南理工大学 2020-11-06 CN disclosed