SCHEMBL25916431

SCHEMBL25916431

C=C(C)C(=O)OCCCS(=O)(=O)O/N=C(\C(=O)OCC)c1nc2ccccc2s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ MAPT P10636 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ GAA P10253 1/20 0.42
▸ SMN1; SMN2 Q16637 5/20 0.42
▸ CYP26A1 O43174 2/20 0.41
▸ RAB9A P51151 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL25915964 0.86 MEN1 (0.41) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL25916764 0.83 MEN1 (0.39) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL15277477 0.74 MAPT (0.57) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL16745519 0.72 ALOX15 (0.44) MAPTSMN1; SMN2CYP26A1RAB9ANPC1
SCHEMBL10009486 0.69 MAPT (0.63) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL31711507 0.67 MAPT (0.59) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL3125420 0.67 MAPT (0.59) MEN1KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL18301586 0.67 ATP4A (0.56) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL211598 0.67 ALDH1A1 (0.69) MEN1KMT2AMAPTKDM4EGAA
SCHEMBL10150487 0.67 TSHR (0.54) ALDH1A1HPGDPOLBTSHRTHRB

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-20230221640-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2023-07-13 — — US disclosed
US-20230221640-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, AND METHOD FOR MANUFACTURING ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2023-07-13 — — US disclosed
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