SCHEMBL29642090

SCHEMBL29642090

Cc1cc2c(cc1-c1ccc(NC(=O)c3ccccc3F)s1)OC(F)(F)O2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 2/20 0.48
▸ STIM1 Q13586 2/20 0.43
▸ ORAI1 Q96D31 2/20 0.43
▸ ORAI2 Q96SN7 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 8/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ SCN9A Q15858 1/20 0.41
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ TP53 P04637 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ PKM P14618 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
SCHEMBL721845 1.00 IL2 (0.48) IL2STIM1ORAI1ORAI2LMNA
SCHEMBL29642130 0.88 IL2 (0.61) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL723614 0.88 IL2 (0.61) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL10201327 0.83 STIM1 (0.48) STIM1ORAI1ORAI2LMNAMAPT
SCHEMBL10201081 0.82 STIM1 (0.54) STIM1ORAI1ORAI2LMNAMAPT
SCHEMBL14881301 0.81 MEN1 (0.53) IL2STIM1ORAI1LMNAMAPT
SCHEMBL14881367 0.80 MAPT (0.53) LMNAMAPTSMN1; SMN2ALDH1A1RAB9A
SCHEMBL1701611 0.79 STIM1 (0.65) IL2STIM1ORAI1ORAI2LMNA
SCHEMBL1701825 0.78 STIM1 (0.62) IL2STIM1ORAI1ORAI2SMN1; SMN2
SCHEMBL766985 0.76 STIM1 (0.47) STIM1ORAI1ORAI2LMNAMAPT

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-114591311-A Compounds that modulate intracellular calcium 钙医学公司 2022-06-07 — — CN disclosed
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