SCHEMBL6598616

SCHEMBL6598616

Nc1ccc2nccc(NCc3ccccc3)c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.63
PKM P14618 1/20 0.59
CCNC P24863 6/20 0.53
CDK8 P49336 6/20 0.53
IGF1R P08069 4/20 0.50
BACE1 P56817 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49
POLB P06746 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RCE1 Q9Y256 1/20 0.49
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL21750424 0.86 CCNC (0.72) EGFRCCNCCDK8IGF1RKDM4E
SCHEMBL13496026 0.84 PKM (0.64) EGFRPKMIGF1RBACE1KDM4E
SCHEMBL29337531 0.83 HTR1A (0.68) PKMCCNCCDK8KDM4EMEN1
SCHEMBL27174112 0.83 PKM (0.59) PKMCCNCCDK8KDM4EMEN1
SCHEMBL4823156 0.82 EGFR (0.43) EGFRPKMCCNCCDK8KDM4E
SCHEMBL13496036 0.82 PKM (0.62) EGFRPKMIGF1RBACE1KDM4E
SCHEMBL31197362 0.82 HTR1A (0.69) EGFRPKMCCNCCDK8IGF1R
SCHEMBL3051350 0.82 HTR1A (0.69) EGFRPKMCCNCCDK8IGF1R
SCHEMBL21750414 0.80 CCNC (0.77) PKMCCNCCDK8ALDH1A1LMNA
SCHEMBL6617291 0.79 NQO2 (0.67) EGFRKDM4EMEN1ALDH1A1GLA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373252-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT Aventis Pharma S.A. (FR) 2004-01-02 EP disclosed
WO-2002076975-A1 CHEMICAL DERIVATIVES AND THEIR USE AS ANTI-TELOMERASE AGENT AVENTIS PHARMA S.A. (FR) 2002-10-03 WO disclosed