SCHEMBL28190066

SCHEMBL28190066

CN=C(N)NOC(=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.59
ALDH1A1 P00352 4/20 0.59
KMT2A Q03164 3/20 0.59
POLB P06746 2/20 0.59
TSHR P16473 3/20 0.52
RAB9A P51151 5/20 0.46
CASP3 P42574 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SENP8 Q96LD8 1/20 0.46
LMNA P02545 3/20 0.45
F2 P00734 1/20 0.45
PKM P14618 2/20 0.45
MEN1 O00255 1/20 0.44
NPC1 O15118 4/20 0.43
CDK5 Q00535 1/20 0.43
CDK5R1 Q15078 1/20 0.43
PLA2G7 Q13093 1/20 0.42
CYP1A2 P05177 1/20 0.42

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
SCHEMBL5873315 0.84 ALDH1A1 (0.61) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL28884221 0.79 ALDH1A1 (0.56) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL6269137 0.79 ALDH1A1 (0.70) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL4907232 0.78 ALDH1A1 (0.76) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL28884209 0.78 MAPT (0.54) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL6912975 0.78 TSHR (0.56) MAPTALDH1A1KMT2ATSHRL3MBTL1
SCHEMBL1107202 0.77 ALDH1A1 (0.68) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL158309 0.77 KMT2A (0.68) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL7371030 0.76 ALDH1A1 (0.66) MAPTALDH1A1KMT2APOLBTSHR
SCHEMBL9150262 0.76 ALDH1A1 (0.66) MAPTALDH1A1KMT2APOLBTSHR

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
CN-104855416-B A kind of high temperature resistant complex antimicrobials and preparation method thereof 武汉桀升生物科技有限公司 2018-02-16 CN disclosed