SCHEMBL29642101

SCHEMBL29642101

Cc1cc2c(cc1-c1cnc(NC(=O)c3c(F)cccc3F)s1)OC(F)(F)O2

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ STIM1 Q13586 5/20 0.65
▸ ORAI1 Q96D31 5/20 0.65
▸ ORAI2 Q96SN7 1/20 0.55
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ IL2 P60568 3/20 0.44
▸ GAA P10253 1/20 0.43
▸ POLQ O75417 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ ABL1 P00519 1/20 0.39
▸ ALDH1A1 P00352 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
SCHEMBL10201079 1.00 STIM1 (0.65) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL10201675 0.91 STIM1 (0.53) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL29642084 0.91 STIM1 (0.53) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL10201081 0.89 STIM1 (0.54) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL10201676 0.83 STIM1 (0.46) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL10201325 0.82 STIM1 (0.58) STIM1ORAI1ORAI2LMNAIL2
SCHEMBL723614 0.82 IL2 (0.61) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL29642130 0.82 IL2 (0.61) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL1701956 0.81 STIM1 (0.66) STIM1ORAI1ORAI2MEN1KMT2A
SCHEMBL1702182 0.80 STIM1 (0.77) STIM1ORAI1ORAI2MEN1KMT2A

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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