SCHEMBL9322935

SCHEMBL9322935

CCCC(C)(C)C(=O)NCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
CCR2 P41597 1/20 0.39
ALDH1A1 P00352 1/20 0.39
DRD2 P14416 2/20 0.37
DRD4 P21917 2/20 0.37
ELANE P08246 1/20 0.35
FDPS P14324 2/20 0.34
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CNR1 P21554 2/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
ACAT1 P24752 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL9321992 0.83 ACLY (0.42) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL20307388 0.82
SCHEMBL13036470 0.80 MEN1 (0.47) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL18978339 0.80 MEN1 (0.47) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL24263894 0.78 MEN1 (0.46) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL19882341 0.78 KMT2A (0.46) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL5154430 0.78 TDP1 (0.46) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL5210042 0.78 MEN1 (0.46) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL17340396 0.76 MEN1 (0.44) MEN1KMT2ATDP1CCR2ALDH1A1
SCHEMBL18876819 0.76 CNR1 (0.45) MEN1KMT2ATDP1CCR2ALDH1A1

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
US-5319133-A Isocyanates and their preparation using hypochlorous acid OLIN CORPORATION (US) 1994-06-07 US disclosed