SCHEMBL10327509

SCHEMBL10327509

C#Cc1c(O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)nc(N)nc1SC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 7/20 0.43
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ THRB P10828 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ EPAS1 Q99814 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LCK P06239 4/20 0.38
▸ KDR P35968 3/20 0.38
▸ KIT P10721 1/20 0.38
▸ MAPK14 Q16539 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
SCHEMBL964349 0.91 KMT2A (0.49) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL963698 0.91 KMT2A (0.49) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL10327382 0.90 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL10327240 0.90 SMN1; SMN2 (0.46) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL12915786 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL964525 0.83 SMN1; SMN2 (0.47) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL10327353 0.81 SMN1; SMN2 (0.41) SMN1; SMN2LMNAMEN1KMT2ANPSR1
SCHEMBL10327450 0.78 HPGD (0.42) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL10180462 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMEN1KMT2ATHRB
SCHEMBL10181156 0.76 SMN1; SMN2 (0.49) SMN1; SMN2LMNAMEN1KMT2ATHRB

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
EP-1678168-B1 P70S6 KINASE MODULATORS AND METHOD OF USE EXELIXIS INC (US) 2012-07-11 — — EP disclosed
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