SCHEMBL28312964

SCHEMBL28312964

O=C(O)C1(O)NCCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
RECQL P46063 2/20 0.40
THRB P10828 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40
CASP1 P29466 1/20 0.40
BLM P54132 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC9 Q9UKV0 1/20 0.39
MEN1 O00255 3/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTR2A P28223 1/20 0.38
HCAR2 Q8TDS4 1/20 0.37
HTR2C P28335 1/20 0.36

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
SCHEMBL27852609 0.81 ALDH1A1 (0.41) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL7201343 0.78 ALDH1A1 (0.39) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL9845298 0.78 ALDH1A1 (0.60) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL27969858 0.78 MEN1 (0.40) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL28008400 0.78 HDAC9 (0.41) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL28008899 0.78 ALDH1A1 (0.39) TDP1ALDH1A1MAPTRECQLTHRB
Hydrochloric Acid SCHEMBL8017746 0.77 ALDH1A1 (0.59) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL27956103 0.77 HDAC9 (0.43) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL3732088 0.77 HDAC9 (0.43) TDP1ALDH1A1MAPTRECQLTHRB
SCHEMBL5550987 0.76 HTR2A (0.43) MEN1HTR2AHTR2C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110157251-B Curing agent composition and coating composition comprising same KCC公司 2022-04-01 CN claimed
CN-110157251-A Curing agent composition and coating composition comprising it KCC公司 2019-08-23 CN claimed
CN-119968380-A Process for producing compound 国立大学法人东京大学 2025-05-09 CN disclosed
CN-110157251-B Curing agent composition and coating composition comprising same KCC公司 2022-04-01 CN disclosed
CN-110157251-A Curing agent composition and coating composition comprising it KCC公司 2019-08-23 CN disclosed