SCHEMBL21189694

SCHEMBL21189694

CCCCNC(c1ccccc1)(c1ccc(S)cc1)c1ccc(S)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.52
KIF11 P52732 1/20 0.49
DUT P33316 1/20 0.40
NAAA Q02083 1/20 0.35
HDAC3 O15379 4/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC8 Q9BY41 2/20 0.35
NCOR2 Q9Y618 1/20 0.35
HTT P42858 3/20 0.34
TSHR P16473 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33

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
SCHEMBL14288491 0.89 KCNN4 (0.63) KCNN4KIF11DUTNAAAHDAC3
SCHEMBL20644264 0.84 KCNN4 (0.61) KCNN4KIF11DUTNAAAHTT
SCHEMBL23861615 0.83 KCNN4 (0.52) KCNN4KIF11DUTNAAAHDAC3
SCHEMBL14288493 0.82 KCNN4 (0.59) KCNN4KIF11DUTNAAAHTT
SCHEMBL29788846 0.82 KCNN4 (0.59) KCNN4KIF11DUTNAAAHTT
Bromide SCHEMBL31502532 0.82 KCNN4 (0.59) KCNN4KIF11DUTNAAAHTT
SCHEMBL22738138 0.82 KCNN4 (0.40) KCNN4KIF11DUTNAAAHDAC3
Acetic Acid SCHEMBL23711260 0.81 KCNN4 (0.53) KCNN4KIF11DUTNAAAHDAC3
SCHEMBL21189640 0.81 KCNN4 (0.42) KCNN4KIF11DUTHDAC3HDAC1
SCHEMBL22737580 0.81 KCNN4 (0.42) KCNN4KIF11DUTNAAAHDAC3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047457-A1 COMPOUND, RESIN, COMPOSITION AND PATTERN FORMATION METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-02-18 US disclosed
EP-3744710-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2020-12-02 EP disclosed
WO-2019142897-A1 COMPOUND, RESIN, COMPOSITION, AND PATTERN FORMING METHOD 三菱瓦斯化学株式会社 2019-07-25 WO disclosed