SCHEMBL28059236

SCHEMBL28059236

CCOc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
ALDH1A1 P00352 7/20 0.44
LMNA P02545 4/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
TDP1 Q9NUW8 3/20 0.41
MCL1 Q07820 1/20 0.41
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40

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
SCHEMBL8136793 0.85 ALDH1A1 (0.52) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL5678530 0.81 ALDH1A1 (0.61) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10958150 0.81 MEN1 (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10130531 0.80 KMT2A (0.38) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL7433773 0.80 PKM (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL28043205 0.79 MAPT (0.46) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL19365731 0.77 ALDH1A1 (0.44) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL10534522 0.76 ALDH1A1 (0.53) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL11798976 0.76 ALDH1A1 (0.57) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL2735445 0.76 ALDH1A1 (0.59) MAPTALDH1A1LMNAKMT2AMEN1

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
CN-102656141-B Micromolecular compound of simulation hemopoieticgrowth factor and uses thereof LIGAND PHARMACEUTICALS INC. (US) 2016-04-06 CN disclosed