SCHEMBL28522685

SCHEMBL28522685

CCc1ccc(OC)c(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2noc3c(C4=CCCCC4)cccc23)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ OXTR P30559 2/20 0.33
▸ MAPT P10636 4/20 0.33
▸ TP53 P04637 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ KAT7 O95251 1/20 0.31
▸ KAT6B Q8WYB5 1/20 0.31
▸ KAT6A Q92794 1/20 0.31
▸ BRD4 O60885 1/20 0.30
▸ BRD2 P25440 1/20 0.30
▸ BRD3 Q15059 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALPL P05186 1/20 0.30

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
SCHEMBL29652560 1.00 ALDH1A1 (0.34) ALDH1A1KMT2ATSHROXTRMAPT
SCHEMBL29652358 0.89 ALDH1A1 (0.34) ALDH1A1KMT2ATSHROXTRMAPT
SCHEMBL28906748 0.89 ALDH1A1 (0.34) ALDH1A1KMT2ATSHROXTRMAPT
SCHEMBL29652573 0.84 MAPT (0.36) KMT2ATSHROXTRMAPTTP53
SCHEMBL29652370 0.79 KAT7 (0.41) KMT2AMAPTTP53POLBKAT7
SCHEMBL29652392 0.77 KAT7 (0.38) ALDH1A1OXTRMAPTTP53POLB
SCHEMBL21609050 0.76 KAT6A (0.49) POLBKAT7KAT6BKAT6AALPL
SCHEMBL21596794 0.76 MAPT (0.37) KMT2ATSHRMAPTTP53POLB
SCHEMBL31605548 0.76 MAPT (0.37) KMT2ATSHRMAPTTP53POLB
SCHEMBL29652411 0.76 KAT6A (0.49) POLBKAT7KAT6BKAT6AALPL

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-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 — — CN disclosed
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