SCHEMBL24271982

SCHEMBL24271982

CCOc1ccc(SNC(C)=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
MEN1 O00255 1/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
MAPT P10636 2/20 0.53
PLK1 P53350 1/20 0.49
POLB P06746 1/20 0.49
NQO1 P15559 1/20 0.48
ALDH1A1 P00352 2/20 0.47
PARP10 Q53GL7 1/20 0.47
RAB9A P51151 2/20 0.47
ACACB O00763 4/20 0.46
NPC1 O15118 2/20 0.45
ACACA Q13085 1/20 0.44
FAAH O00519 1/20 0.44

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
SCHEMBL8335959 0.80 MTNR1A (0.54) MAPTPLK1PARP10RAB9ANPC1
SCHEMBL24196870 0.73 NQO1 (0.67) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL18894356 0.73 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL23280 0.73 KMT2A (1.00) KMT2AMEN1LMNACYP1A2TDP1
SCHEMBL28037693 0.72 TEAD1 (0.43) KMT2AMEN1LMNAMAPTALDH1A1
Phenacetin SCHEMBL28388594 0.71 KMT2A (0.96) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL28630552 0.71 KMT2A (0.96) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL28570302 0.71 KMT2A (0.96) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL10630698 0.71 KMT2A (0.96) KMT2AMEN1LMNACYP1A2TDP1
Phenacetin SCHEMBL28498098 0.71 KMT2A (0.96) KMT2AMEN1LMNACYP1A2TDP1

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
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed