SCHEMBL23848652

SCHEMBL23848652

CNC(=O)N(CCOC)CCOC

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MLYCD O95822 1/20 0.36
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
NAMPT P43490 2/20 0.33
TSHR P16473 2/20 0.32
NQO1 P15559 1/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.31
PIK3CD O00329 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CRHR1 P34998 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
SCHEMBL19027649 0.92 NAMPT (0.38) HDAC1HDAC6MLYCDALDH1A1TP53
SCHEMBL19027651 0.91 MLYCD (0.44) HDAC1HDAC6MLYCDKMT2AALDH1A1
SCHEMBL7478194 0.80 MEN1 (0.34) KMT2AMEN1TP53NAMPTTSHR
SCHEMBL18737690 0.76 NQO1 (0.34) ALDH1A1TSHRNQO1
SCHEMBL2117049 0.75 MLYCD (0.40) HDAC1HDAC6MLYCDKMT2AALDH1A1
SCHEMBL19027652 0.75 NAMPT (0.40) KMT2AALDH1A1MEN1TP53NAMPT
SCHEMBL4572808 0.73 ALDH1A1 (0.38) ALDH1A1NQO1
SCHEMBL1196853 0.73 MLYCD (0.39) HDAC1HDAC6MLYCDKMT2AALDH1A1
SCHEMBL5932697 0.73 MLYCD (0.39) HDAC1HDAC6MLYCDKMT2AALDH1A1
SCHEMBL2755866 0.73 ALDH1A1 (0.39) HDAC1HDAC6MLYCDKMT2AALDH1A1

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-20210294213-A1 NEGATIVE-TYPE PHOTOSENSITIVE RESIN COMPOSITION AND METHOD FOR PRODUCING POLYIMIDE AND CURED RELIEF PATTERN USING SAME ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-23 US disclosed