SCHEMBL28759581

SCHEMBL28759581

CCc1nnc(NC(=O)O)s1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.67
GAA P10253 3/20 0.66
MAPT P10636 2/20 0.66
RAB9A P51151 5/20 0.65
ALDH1A1 P00352 3/20 0.65
NPC1 O15118 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
KAT8 Q9H7Z6 1/20 0.63
GLS O94925 1/20 0.62
HPGD P15428 1/20 0.61
HSD17B10 Q99714 1/20 0.61
POLB P06746 4/20 0.60
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
ALOX15 P16050 1/20 0.59
TSHR P16473 1/20 0.59
OPRK1 P41145 1/20 0.59
HTT P42858 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL5629418 0.86 RAB9A (0.68) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL27571956 0.85 ATM (0.63) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL5629412 0.85 ATM (0.63) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL14192408 0.85 KAT8 (0.69) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL12002438 0.82 SMN1; SMN2 (0.69) GAAMAPTALDH1A1SMN1; SMN2HPGD
SCHEMBL8832776 0.82 KAT8 (0.74) GAAMAPTALDH1A1SMN1; SMN2KAT8
SCHEMBL8282186 0.82 KAT8 (0.65) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL12354953 0.82 KAT8 (0.65) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL8308646 0.80 GAA (0.60) ATMGAAMAPTRAB9AALDH1A1
SCHEMBL6374705 0.80 RAB9A (0.69) ATMGAAMAPTRAB9AALDH1A1

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-1849302-A 1, 3-disubstituted azetidine derivatives useful as CCR-3 receptor antagonists in the treatment of inflammatory and allergic diseases NOVARTIS AG (CH) 2006-10-18 CN disclosed