SCHEMBL28550679

SCHEMBL28550679

O=C(CBr)NCCCCCCNC(=O)c1ccc(CO)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
ALDH1A1 P00352 6/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
NPY5R Q15761 1/20 0.44
LMNA P02545 4/20 0.44

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
SCHEMBL28539247 0.99 PRMT5 (0.47) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28538402 0.83 ALDH1A1 (0.49) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28541709 0.82 ALDH1A1 (0.47) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28728486 0.81 ALDH1A1 (0.45) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL26456319 0.80 ALDH1A1 (0.52) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28544900 0.80 CYP19A1 (0.44) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28536158 0.79 CYP19A1 (0.45) PRMT5WDR77MAPTMEN1KMT2A
SCHEMBL28536759 0.78 TDP1 (0.38) MAPTMEN1KMT2AALDH1A1HDAC1
SCHEMBL29113853 0.77 SMN1; SMN2 (0.52) MAPTMEN1KMT2AMAPK1ALDH1A1
SCHEMBL31495856 0.74 PDK1 (0.50) MAPTMEN1KMT2AMAPK1ALDH1A1

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
CN-112574089-B Photo-induced multifunctional crosslinking agent, preparation method and application thereof 中国科学院上海药物研究所 2023-09-05 CN disclosed
CN-112574089-A Photoinduced multifunctional cross-linking agent, and preparation method and application thereof 中国科学院上海药物研究所 2021-03-30 CN disclosed