SCHEMBL7928542

SCHEMBL7928542

Bc1cc(-c2ccc(NC(=O)c3c(F)cccc3F)nc2)c(C(C)(C)O)s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IL2 P60568 10/20 0.48
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ PKM P14618 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ STIM1 Q13586 2/20 0.38
▸ ORAI1 Q96D31 2/20 0.38
▸ ORAI2 Q96SN7 1/20 0.38

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
SCHEMBL2313550 0.88 IL2 (0.48) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL2314656 0.83 ABCB1 (0.46) IL2MEN1KMT2A
SCHEMBL13583348 0.77 IL2 (0.42) IL2MEN1KMT2AALDH1A1CYP1A2
SCHEMBL8239294 0.73 IL2 (0.67) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL12155635 0.73 IL2 (0.60) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL2819267 0.72 IL2 (0.62) IL2KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL2851676 0.72 IL2 (0.46) IL2STIM1ORAI1ORAI2
SCHEMBL8239024 0.72 IL2 (0.54) IL2MEN1KMT2ANPC1RAB9A
SCHEMBL1701956 0.72 STIM1 (0.66) IL2MEN1KMT2ASTIM1ORAI1
SCHEMBL452378 0.71 IL2 (0.66) IL2

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-2010039237-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 — — WO disclosed
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