SCHEMBL21456772

SCHEMBL21456772

CC(=O)NC(CSc1ncnc2nc[nH]c12)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.67
GAA P10253 1/20 0.60
HPGD P15428 4/20 0.57
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
HIF1A Q16665 2/20 0.57
CYP1A2 P05177 2/20 0.57
LMNA P02545 2/20 0.57
HTT P42858 2/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
CDC7 O00311 5/20 0.55
DBF4 Q9UBU7 4/20 0.55
CTNNB1 P35222 1/20 0.53
MAPT P10636 3/20 0.52
AKR1C1 Q04828 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL9172563 1.00 TSHR (0.67) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL16099136 0.82 NOTUM (0.42) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL9172544 0.82 NOTUM (0.42) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL3396404 0.80 TSHR (0.78) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL29098331 0.79 HIF1A (0.65) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL8696237 0.77 TSHR (0.72) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL24996925 0.76 NOTUM (0.67) GAACDC7DBF4
SCHEMBL30127726 0.76 NOTUM (0.67) GAACDC7DBF4
SCHEMBL9254901 0.76 HIF1A (0.61) TSHRGAAHPGDALDH1A1SMN1; SMN2
SCHEMBL9177182 0.73 RXFP1 (0.40) TSHRGAAALDH1A1SMN1; SMN2RAB9A

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
EP-2976061-B1 COMBINATIONS OF N-ACETYL CYSTEINE DERIVATIVES AND CRANBERRY POLYPHENOLS IN COMPOSITIONS AND METHODS FOR PREVENTING AND TREATING PERIODONTAL DISEASES AND PERI-IMPLATITIS DENTALMED PHARM HOLDING LTD (BE) 2019-10-16 EP claimed