SCHEMBL15567435

SCHEMBL15567435

Cc1ccc(OCc2nc3ccccc3n2C(C)c2ccccc2)cc1

nearest known ligand 0.82

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 0.82
POLB P06746 2/20 0.67
RAB9A P51151 7/20 0.63
NPC1 O15118 6/20 0.63
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
MAPT P10636 4/20 0.60
TSHR P16473 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 1/20 0.54
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL21142712 0.80 POLB (1.00) TP53POLBRAB9ANPC1KMT2A
SCHEMBL15082882 0.78 MAPT (0.74) TP53POLBRAB9ANPC1KMT2A
SCHEMBL16756383 0.76 KMT2A (0.62) TP53POLBKMT2AMEN1TSHR
SCHEMBL16756532 0.76 KMT2A (0.62) TP53POLBKMT2AMEN1TSHR
SCHEMBL20715537 0.76 TP53 (0.74) TP53POLBKMT2AMEN1MAPT
SCHEMBL16756323 0.75 TP53 (0.60) TP53POLBRAB9ANPC1KMT2A
SCHEMBL16756571 0.75 TP53 (0.60) TP53POLBRAB9ANPC1KMT2A
SCHEMBL16756266 0.75 TP53 (0.60) TP53POLBRAB9ANPC1KMT2A
SCHEMBL6804801 0.71 POLB (0.71) TP53POLBRAB9ANPC1KMT2A
SCHEMBL15063352 0.70 TP53 (0.69) TP53POLBRAB9ANPC1KMT2A

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-2014027053-A1 BENZIMIDAZOLES FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-02-20 WO disclosed