SCHEMBL8262127

SCHEMBL8262127

O=C(Nc1c(F)cccc1F)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL2 P60568 5/20 1.00
ESRRG P62508 7/20 0.49
STIM1 Q13586 1/20 0.48
ORAI1 Q96D31 1/20 0.48
TRPV1 Q8NER1 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
S1PR4 O95977 2/20 0.43
S1PR2 O95136 1/20 0.43
NPY5R Q15761 1/20 0.43

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
SCHEMBL8263091 0.87 IL2 (0.77) IL2ESRRGSTIM1ORAI1TP53
SCHEMBL8263094 0.85 IL2 (0.74) IL2ESRRGSTIM1ORAI1TP53
SCHEMBL5049887 0.83 IL2 (0.70) IL2TRPV1TLR7S1PR4NPY5R
SCHEMBL5052756 0.82 IL2 (0.69) IL2TRPV1TLR7S1PR4NPY5R
SCHEMBL5267756 0.81 IL2 (0.79) IL2ESRRGSTIM1ORAI1TP53
SCHEMBL5272202 0.79 IL2 (0.67) IL2ESRRGSTIM1ORAI1TP53
SCHEMBL5270188 0.78 IL2 (0.63) IL2
SCHEMBL5270372 0.78 IL2 (0.63) IL2ESRRGSTIM1ORAI1SMN1; SMN2
SCHEMBL5268580 0.78 IL2 (0.65) IL2ESRRGSTIM1ORAI1TP53
SCHEMBL8263090 0.77 IL2 (0.63) IL2ESRRGSTIM1ORAI1TP53

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US disclosed
US-8802721-B2 Thiophene compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2014-08-12 US disclosed
WO-2006081389-A1 THIOPHENE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2006-08-03 WO disclosed