SCHEMBL28158484

SCHEMBL28158484

COS(=O)(=O)O.Cc1nc2c(C)cccc2s1

nearest known ligand 0.52

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.49
PKM P14618 1/20 0.47
ACP1 P24666 1/20 0.45
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
GAA P10253 1/20 0.43
AGPAT2 O15120 1/20 0.41
ALOX15 P16050 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
MCL1 Q07820 1/20 0.40
ESR2 Q92731 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
SCHEMBL1748098 0.83 ALDH1A1 (0.66) MAPTALDH1A1PKMGAAALOX15
Ammonia Solution, Strong SCHEMBL26679975 0.82 ALDH1A1 (0.63) MAPTALDH1A1PKMGAAALOX15
Iodide SCHEMBL1770191 0.82 ALDH1A1 (0.63) MAPTALDH1A1PKMGAAALOX15
Hydrochloric Acid SCHEMBL28519025 0.80 ALDH1A1 (0.61) MAPTALDH1A1PKMGAAALOX15
SCHEMBL27849608 0.79 ALDH1A1 (0.65) MAPTALDH1A1PKMGAAALOX15
SCHEMBL14871610 0.78 ALDH1A1 (0.54) MAPTALDH1A1PKMACP1ALOX15
Formamide SCHEMBL28482328 0.78 ALDH1A1 (0.59) MAPTALDH1A1PKMACP1PPARG
SCHEMBL27527885 0.76 ALDH1A1 (0.53) MAPTALDH1A1PKMACP1PPARG
SCHEMBL27872889 0.76 PKLR (0.39) MAPTALDH1A1PKMACP1MEN1
Hydrochloric Acid SCHEMBL28217165 0.75 PKLR (0.39) MAPTALDH1A1PKMACP1MEN1

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-106967302-A A kind of synthetic method of blood cell analysis dyestuff 苏州康铭诚业医用科技有限公司 2017-07-21 CN disclosed