SCHEMBL4802198

SCHEMBL4802198

CCOC(=O)c1cnc2c(c(CC)nn2Cc2ccc(OC)cc2)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.56
NR3C1 P04150 13/20 0.53
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
PDE4B Q07343 1/20 0.46
UCHL1 P09936 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45

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
SCHEMBL17963291 0.90 KMT2A (0.71) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17982563 0.84 NR3C1 (0.76) KMT2ANR3C1
SCHEMBL17963407 0.81 NR3C1 (0.72) KMT2ANR3C1
SCHEMBL587425 0.81 PDE4B (0.60) KMT2ANR3C1GAASMN1; SMN2MAPT
SCHEMBL17982132 0.80 KMT2A (0.59) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17963410 0.80 NR3C1 (0.73) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17982108 0.80 KMT2A (0.59) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17982529 0.80 KMT2A (0.71) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL20413765 0.79 KMT2A (0.67) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA
SCHEMBL17982171 0.79 KMT2A (0.58) KMT2ANR3C1SMN1; SMN2ALDH1A1LMNA

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
WO-2008075007-A1 MORPHOLINO-SUBSTITUTED BICYCLOHETEROARYL COMPOUNDS AND THEIR USE AS ANTI CANCER AGENTS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2008-06-26 WO disclosed