SCHEMBL28575307

SCHEMBL28575307

CCOC(=O)C(F)c1ccc([N+](=O)[O-])c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.41
KMT2A Q03164 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ALDH1A1 P00352 6/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
PKM P14618 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
LMNA P02545 6/20 0.40
POLB P06746 2/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL3223924 0.85 TDP1 (0.44) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL2531382 0.85 MAPT (0.44) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL29875002 0.83 KMT2A (0.43) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL1855974 0.83 MMP8 (0.41) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL19926310 0.83 KMT2A (0.43) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL1855973 0.78 ALDH1A1 (0.52) MAPTKMT2AALDH1A1RAB9ANPC1
SCHEMBL27652798 0.77 MAPT (0.54) MAPTKMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL16445513 0.75 KMT2A (0.64) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL28252420 0.75 MAPT (0.49) MAPTKMT2ASMN1; SMN2MAPK1TDP1
SCHEMBL12381878 0.74 ALDH1A1 (0.44) KMT2AALDH1A1LMNAL3MBTL1MEN1

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-112824398-B Immunomodulator 成都先导药物开发股份有限公司 2022-10-21 CN disclosed
CN-112824398-A Immunomodulator 成都先导药物开发股份有限公司 2021-05-21 CN disclosed