SCHEMBL5858857

SCHEMBL5858857

CC(C)(C)c1ccc(C(=O)n2c[c]c(N)nc2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ PLAU P00749 1/20 0.40
▸ ELANE P08246 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ TRPC6 Q9Y210 1/20 0.37
▸ SRD5A2 P31213 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL7264255 0.81 RAB9A (0.41) SMN1; SMN2MEN1KMT2AHPGDELANE
SCHEMBL7635955 0.78 PLAU (0.45) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL31047656 0.63 ALDH1A1 (0.51) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL6280929 0.62 MEN1 (0.56) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL10335889 0.62 — —
SCHEMBL284242 0.61 EPHX2 (0.66) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL6653589 0.60 SRD5A2 (0.68) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL1148445 0.60 SRD5A2 (0.83) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL2853873 0.60 HDAC1 (0.64) SMN1; SMN2MEN1KMT2AHTTALDH1A1
SCHEMBL10946728 0.60 SRD5A2 (0.83) SMN1; SMN2MEN1KMT2AHTTALDH1A1

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-7105648-B1 Oligomers substituted by phosphite acid ester, phosphonic acid or carbaborane functions and the corresponding PNA monomers UGICHEM GMBH (AU) 2006-09-12 — — US disclosed
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