SCHEMBL24978752

SCHEMBL24978752

C=Cc1cc(C)ccc1N=S(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ ADRA2A P08913 1/20 0.34
▸ SLC9A3 P48764 2/20 0.32
▸ SLC9A1 P19634 1/20 0.32
▸ TRPA1 O75762 1/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31

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
SCHEMBL19622351 0.80 LMNA (0.38) KDM4EMAPTLMNAHTTTP53
SCHEMBL14838175 0.77 KDM4E (0.43) KDM4EMAPTLMNAHTTTP53
SCHEMBL20852892 0.76 CYP3A4 (0.41) KDM4EMAPTLMNAHTTTP53
SCHEMBL8291031 0.73 KDM4E (0.37) KDM4EMAPTLMNAHTTTP53
SCHEMBL5084622 0.72 TDP1 (0.44) KDM4EMAPTLMNAHTTTP53
SCHEMBL29392003 0.70 ALOX5 (0.47) KDM4EMAPTLMNAHTTTP53
SCHEMBL87447 0.70 ALOX5 (0.47) KDM4EMAPTLMNAHTTTP53
SCHEMBL24936287 0.69 TP53 (0.39) KDM4EMAPTLMNAHTTTP53
SCHEMBL11037443 0.69 TDP1 (0.41) KDM4EMAPTLMNAHTTTP53
SCHEMBL11352142 0.67 MAPT (0.53) KDM4EMAPTLMNAHTTTP53

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
WO-2023007426-A1 NOVEL STYRENE COMPOUNDS AND A PROCESS FOR THE PREPARATION THEREOF PI INDUSTRIES LTD. (IN) 2023-02-02 — — WO disclosed
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