SCHEMBL495857

SCHEMBL495857

CC(C)(C)N(C(=O)O)[C@H]1CCCC[C@@H]1Nc1cc(Cl)c(Br)cc1C#N

nearest known ligand 0.31

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
KMT2A Q03164 1/20 0.31
SCN9A Q15858 3/20 0.31
CISD1 Q9NZ45 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA3 P07451 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
CA13 Q8N1Q1 1/20 0.31
CA14 Q9ULX7 1/20 0.31
CA5B Q9Y2D0 1/20 0.31
CHEK1 O14757 1/20 0.30
RPS6KA3 P51812 1/20 0.30
SRPK1 Q96SB4 1/20 0.30

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
SCHEMBL496358 0.92 CHEK1 (0.36) MEN1ALDH1A1KMT2ASCN9ACHEK1
SCHEMBL495955 0.92 MEN1 (0.33) MEN1ALDH1A1KMT2ASCN9ACISD1
SCHEMBL496465 0.84 MEN1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL495888 0.84 MEN1 (0.41) MEN1ALDH1A1KMT2A
SCHEMBL496442 0.79 FER (0.34) MEN1KMT2ACISD1CA12CA1
SCHEMBL17745697 0.74 JAK2 (0.33)
SCHEMBL496194 0.73 CHEK1 (0.40) ALDH1A1CHEK1RPS6KA3SRPK1
SCHEMBL14976231 0.70 JAK3 (0.42) CHEK1RPS6KA3SRPK1
SCHEMBL4368419 0.69 FER (0.36) MEN1KMT2ACHEK1RPS6KA3SRPK1
SCHEMBL14638383 0.68 AR (0.45)

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-8106190-B2 2-aminobenzamide derivatives ASTELLAS PHARMA INC. (JP) 2012-01-31 US disclosed