SCHEMBL7968216

SCHEMBL7968216

CC(C)(C)[Si](C)(C)OC1CC(CC#N)N(c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 6/20 0.34
LMNA P02545 2/20 0.34
HPGD P15428 1/20 0.33
PTPN1 P18031 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
HSD11B1 P28845 1/20 0.31
HTT P42858 1/20 0.31
CTSL P07711 2/20 0.31
CTSS P25774 2/20 0.31
CTSK P43235 2/20 0.31
CYP1A2 P05177 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
SCHEMBL7968212 1.00 KMT2A (0.35) KMT2APOLBMEN1NPC1MAPT
SCHEMBL7968396 0.87 ALDH1A1 (0.36) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7982001 0.87 ALDH1A1 (0.36) KMT2APOLBSMN1; SMN2ALDH1A1LMNA
SCHEMBL7968400 0.81 ALDH1A1 (0.37) KMT2APOLBMEN1NPC1MAPT
SCHEMBL7968403 0.81 ALDH1A1 (0.37) KMT2APOLBMEN1NPC1MAPT
SCHEMBL8134544 0.81 ALDH1A1 (0.36) KMT2APOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL8134546 0.81 ALDH1A1 (0.36) KMT2APOLBMAPTSMN1; SMN2ALDH1A1
SCHEMBL7981677 0.77 CTSL (0.39) KMT2APOLBMEN1MAPTALDH1A1
SCHEMBL7984627 0.73 ALDH1A1 (0.35) KMT2APOLBMEN1MAPTSMN1; SMN2
SCHEMBL7984624 0.70 ALDH1A1 (0.36) KMT2APOLBMAPTALDH1A1LMNA

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-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed