SCHEMBL19262124

SCHEMBL19262124

Cc1nnsc1C(=O)Nc1ccc(-c2cc(C3=NN(C)C(O)O3)ccc2OC(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ TRPC3 Q13507 1/20 0.39
▸ ORAI1 Q96D31 1/20 0.39
▸ TRPC5 Q9UL62 1/20 0.39
▸ CRACR2A Q9BSW2 6/20 0.39
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL2733507 0.81 IL2 (0.51) LMNAMEN1KMT2ATRPC3ORAI1
SCHEMBL1827870 0.81 POLB (0.53) LMNATRPC3ORAI1TRPC5CRACR2A
SCHEMBL8299313 0.80 LMNA (0.49) LMNAMEN1KMT2ATRPC3ORAI1
SCHEMBL19519193 0.70 STIM1 (0.44) MEN1KMT2AORAI1ALDH1A1NPC1
SCHEMBL1827209 0.70 ORAI1 (0.56) LMNAMEN1KMT2ATRPC3ORAI1
SCHEMBL17644785 0.69 IL2 (0.46) ORAI1NPC1RAB9A
SCHEMBL19262118 0.69 IL2 (0.64) MEN1KMT2AORAI1
SCHEMBL1828387 0.68 LMNA (0.52) LMNATRPC3ORAI1TRPC5CRACR2A
SCHEMBL16363177 0.68 LMNA (0.52) LMNAMEN1KMT2ATRPC3ORAI1
SCHEMBL8263207 0.67 IMPDH2 (0.48) LMNAORAI1ALDH1A1NPC1PKM

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
US-9737534-B2 Oxazoline and isoxazoline derivatives as CRAC modulators LUPIN LIMITED (IN) 2017-08-22 — — US disclosed
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