SCHEMBL30710591

SCHEMBL30710591

Nc1ccc(Oc2ccc(Oc3ccc(N)cc3C(F)(F)F)c(-c3cccc(C(F)(F)F)c3)c2)c(C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
MAOB P27338 3/20 0.40
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
AR P10275 1/20 0.39
RAB9A P51151 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SCN9A Q15858 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 1/20 0.38
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 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
SCHEMBL15844089 1.00 TSHR (0.42) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL15855453 0.93 L3MBTL1 (0.40) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL15855455 0.93 L3MBTL1 (0.40) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL30710589 0.89 TSHR (0.41) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL30710590 0.87 ALDH1A1 (0.43) TSHRL3MBTL1MAPTNPSR1GLA
SCHEMBL17137899 0.87 ALDH1A1 (0.43) TSHRL3MBTL1MAPTNPSR1GLA
SCHEMBL15858586 0.85 AR (0.37) TSHRL3MBTL1MAPTNPSR1MAOB
SCHEMBL8922262 0.82 MAOB (0.47) TSHRMAPK1L3MBTL1MAPTNPSR1
SCHEMBL4436525 0.81 GAA (0.44) TSHRL3MBTL1MAPTNPSR1RORC
SCHEMBL15858585 0.81 CYP1A2 (0.45) MAPTLMNA

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-117327280-A Fluorine-containing linear long-chain transparent polyamide imide polymer, preparation method thereof and application thereof in optical transparent film 南通际光光电科技有限公司 2024-01-02 CN disclosed