Sugi Predict

Sugi Predict / Compounds / SCHEMBL23338685

SCHEMBL23338685

SCHEMBL23338685

CCN1C(=O)C(C#N)=C(C)/C(=C/C=C2N(c3c(C(C)C)cccc3C(C)C)c3nc4ccccc4nc3N2c2c(C(C)C)cccc2C(C)C)C1=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.33
▸ DPP4 P27487 1/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ USP1 O94782 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
SCHEMBL25849572 0.95 MAPK1 (0.31) MAPK1DPP4NR1H2NR1H3
SCHEMBL23337879 0.84 MAPK1 (0.35) MAPK1
SCHEMBL25849578 0.77 MAPT (0.38) MAPK1DPP4NR1H2NR1H3
SCHEMBL26300124 0.77 DPP4 (0.39) DPP4NR1H2NR1H3
SCHEMBL23338686 0.76 DPP4 (0.38) MAPK1DPP4NR1H2NR1H3
SCHEMBL25165376 0.73 KMT2A (0.34) MAPK1DPP4NR1H2NR1H3
SCHEMBL23337591 0.72 DPP4 (0.39) DPP4NR1H2NR1H3
SCHEMBL23337880 0.72 DPP4 (0.36) DPP4NR1H2NR1H3
SCHEMBL25849822 0.72 ELANE (0.39) MAPK1DPP4NR1H2NR1H3
SCHEMBL23337900 0.72 MEN1 (0.33) USP1

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
EP-3823054-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM Corporation (JP) 2021-05-19 — — EP disclosed
US-20210135128-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2021-05-06 — — US disclosed