SCHEMBL11114986

SCHEMBL11114986

CN(C)c1c(OC(=O)O)nnn1Cc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.45
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ ALDH1A1 P00352 5/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SLC16A3 O15427 6/20 0.41
▸ SLC16A1 P53985 6/20 0.41
▸ MCTS1 Q9ULC4 6/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CNR2 P34972 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39

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
SCHEMBL11116391 0.84 GAA (0.51) GAALMNATDP1ALDH1A1TSHR
SCHEMBL11115154 0.81 GAA (0.46) GAALMNATDP1ALDH1A1TSHR
SCHEMBL10668007 0.79 LMNA (0.45) GAALMNATDP1ALDH1A1TSHR
SCHEMBL11118453 0.73 ALDH1A1 (0.50) GAALMNATDP1ALDH1A1TSHR
SCHEMBL10662798 0.73 ALDH1A1 (0.44) GAALMNATDP1ALDH1A1TSHR
SCHEMBL11119455 0.72 GAA (0.46) GAALMNATDP1ALDH1A1MEN1
SCHEMBL11117131 0.72 ALDH1A1 (0.48) GAALMNATDP1ALDH1A1TSHR
SCHEMBL11117769 0.72 ALDH1A1 (0.48) GAALMNATDP1ALDH1A1TSHR
SCHEMBL10667581 0.70 GAA (0.56) GAALMNATDP1ALDH1A1TSHR
SCHEMBL10769703 0.70 GAA (0.44) GAALMNAALDH1A1MEN1KMT2A

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-0114347-A2 Aralkyl-triazole compounds CIBA-GEIGY AG (CH) 1984-08-01 — — EP claimed
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