SCHEMBL28635017

SCHEMBL28635017

C=C(C#N)C#N.O=C(Oc1ccc(CBr)cc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.47
CTSL P07711 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 11/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
F2 P00734 1/20 0.40
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39

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
SCHEMBL7616356 0.87 CES2 (0.59) PARP10CES2CES1KMT2AMEN1
Benzoic Acid 4-Methylphenyl Ester SCHEMBL28923152 0.82 KMT2A (0.51) PARP10CTSLKMT2AMEN1MAPT
SCHEMBL8983809 0.81 CES2 (0.59) PARP10CES2CES1KMT2AMEN1
Benzoic Acid SCHEMBL28637057 0.79 CES2 (0.44) CTSLCES2CES1KMT2AMEN1
SCHEMBL9699295 0.78 MAPT (0.49) PARP10CES2CES1KMT2AMEN1
SCHEMBL28641546 0.77 CTSL (0.44) PARP10CTSLCES2CES1KMT2A
SCHEMBL28278220 0.75 PARP10 (0.59) PARP10CTSLKMT2AMEN1MAPT
SCHEMBL12199140 0.74 PARP10 (0.62) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL725405 0.73 PARP10 (0.77) PARP10KMT2AMEN1MAPTTDP1
SCHEMBL9339348 0.73 KMT2A (0.53) PARP10CES2CES1KMT2AMEN1

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-113444099-B Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 CN disclosed
CN-113444099-A Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2021-09-28 CN disclosed