SCHEMBL22745899

SCHEMBL22745899

CCC(C)(CC)c1ccc(C2(c3ccc(N4C(=O)c5ccc(C#Cc6ccc7c(c6)C(=O)N(C(C)(CC)CC)C7=O)cc5C4=O)cc3)c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.36
CA9 Q16790 3/20 0.34
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL22745996 0.95 KMT2A (0.35) PGRMEN1KMT2ANR1H3KDM4E
SCHEMBL25972041 0.82 ALDH1A1 (0.36) MEN1KMT2AGAANR1H3KDM4E
SCHEMBL25865303 0.80 GRM1 (0.33) PGRMEN1KMT2A
SCHEMBL22746200 0.80 KMT2A (0.38) PGRCA9CA12CA1CA2
SCHEMBL23894770 0.79 ALDH1A1 (0.36) PGRMEN1KMT2AGAANR1H3
SCHEMBL22580653 0.78 ALDH1A1 (0.36) MEN1KMT2AGAANR1H3KDM4E
SCHEMBL22493223 0.78 BRD4 (0.40) CA9CA12CA1MEN1KMT2A
SCHEMBL25865686 0.77 CA9 (0.33) CA9CA12CA1CA2MEN1
SCHEMBL25721559 0.77 PGR (0.44) PGRCA9CA12CA1CA2
SCHEMBL12811724 0.76 CA9 (0.44) CA9CA12CA1CA2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11676814-B2 Material for forming organic film, substrate for manufacturing semiconductor apparatus, method for forming organic film, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-06-13 US disclosed
US-20200381247-A1 MATERIAL FOR FORMING ORGANIC FILM, SUBSTRATE FOR MANUFACTURING SEMICONDUCTOR APPARATUS, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-12-03 US disclosed