SCHEMBL10327506

SCHEMBL10327506

CSc1nc(N)nc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ LMNA P02545 6/20 0.47
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ RECQL P46063 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ HTT P42858 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ XBP1 P17861 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ TSHR P16473 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 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
SCHEMBL10327153 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL966073 0.90 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL964028 0.89 LMNA (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL10327463 0.89 LMNA (0.46) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL968748 0.88 KMT2A (0.57) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL965578 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL967167 0.87 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL965219 0.87 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL967168 0.87 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1
SCHEMBL965577 0.87 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1LMNAKMT2AMEN1

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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