SCHEMBL8257501

SCHEMBL8257501

COc1ccc(OC)c(-c2cnc(NC(=O)c3c(C)cncc3F)cn2)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 8/20 0.51
▸ ORAI1 Q96D31 3/20 0.46
▸ STIM1 Q13586 2/20 0.46
▸ ORAI2 Q96SN7 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ ADORA3 P0DMS8 2/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ GAA P10253 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ DHODH Q02127 1/20 0.40

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
SCHEMBL5550933 0.94 IL2 (0.56) IL2ORAI1STIM1ORAI2KMT2A
SCHEMBL5550953 0.86 IL2 (0.66) IL2ORAI1STIM1ORAI2KMT2A
SCHEMBL15395991 0.86 IL2 (0.56) IL2ORAI1STIM1ORAI2KMT2A
SCHEMBL5550956 0.83 ORAI1 (0.67) IL2ORAI1STIM1KMT2ANPC1
SCHEMBL5550650 0.82 ORAI1 (0.52) IL2ORAI1STIM1KMT2ANPC1
SCHEMBL8258488 0.78 IL2 (0.47) IL2ORAI1STIM1ORAI2KMT2A
SCHEMBL8257494 0.78 IL2 (0.66) IL2ORAI1STIM1ORAI2KMT2A
SCHEMBL8260166 0.76 ALDH1A1 (0.47) IL2KMT2ANPC1ADORA3MEN1
SCHEMBL8252237 0.75 IL2 (0.56) IL2ORAI1STIM1ORAI2
SCHEMBL15395954 0.75 ORAI1 (0.54) IL2ORAI1STIM1KMT2ANPC1

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
WO-2006081391-A2 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 — — WO disclosed
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