SCHEMBL24247609

SCHEMBL24247609

Cc1ccc(Cn2c(=O)n(Cc3ccccc3C(F)(F)F)c(=O)c3ccccc32)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.59
▸ ALDH1A1 P00352 2/20 0.55
▸ P2RX4 Q99571 1/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ THRB P10828 1/20 0.51
▸ TP53 P04637 3/20 0.51
▸ POLB P06746 2/20 0.51
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ATM Q13315 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ HTT P42858 2/20 0.48

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
SCHEMBL24030794 0.83 HDAC1 (0.73) HTT
SCHEMBL29381775 0.83 HDAC1 (0.73) HTT
SCHEMBL16674525 0.83 TSHR (0.73) TSHRALDH1A1P2RX4MAPTTHRB
SCHEMBL30482352 0.81 TSHR (0.55) TSHRALDH1A1THRBMEN1KMT2A
SCHEMBL16668021 0.76 HDAC1 (0.67) TSHRALDH1A1P2RX4MAPTTHRB
SCHEMBL24247607 0.76 HDAC1 (0.73) TSHRMAPTTHRBTP53MEN1
SCHEMBL24031181 0.76 THRB (0.71) TSHRP2RX4MAPTTHRBTP53
SCHEMBL24247586 0.75 HDAC1 (0.69) TSHRALDH1A1P2RX4MAPTTHRB
SCHEMBL24030776 0.75 HDAC1 (0.75) —
SCHEMBL17241596 0.75 TSHR (0.62) TSHRALDH1A1P2RX4MAPTTP53

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
EP-3624804-B1 HISTONE DEACETYLASES (HDACS) INHIBITORS ANNJI PHARM CO LTD (TW) 2022-02-16 — — EP disclosed
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