SCHEMBL8006013

SCHEMBL8006013

CCN(CC)C(C)c1cccc2cc(C)c(C)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.32
CCR1 P32246 1/20 0.31
CCR8 P51685 1/20 0.31
PSMD14 O00487 1/20 0.30
COPS5 Q92905 1/20 0.30
ATM Q13315 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
SCHEMBL7774855 0.82 KMT2A (0.38) MEN1KMT2AS1PR1
SCHEMBL7996483 0.76 CYP2D6 (0.43) MEN1KMT2AATM
SCHEMBL7779054 0.75
SCHEMBL7774860 0.73 KMT2A (0.38) MEN1KMT2A
SCHEMBL7781994 0.73 KMT2A (0.42) MEN1KMT2ALMNACCR1CCR8
SCHEMBL862522 0.69 PDE3B (0.47) MEN1KMT2ALMNACCR1CCR8
SCHEMBL27628753 0.69 ALDH1A1 (0.47)
SCHEMBL10496032 0.69 KMT2A (0.44) PARP1MEN1KMT2ACCR1CCR8
SCHEMBL27648797 0.69 KDM4E (0.34)
SCHEMBL7869337 0.69 MEN1 (0.31) MEN1KMT2A

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-2000015617-A1 2-AMINOETHYL-QUINOLINE DERIVATIVES, PREPARATION AND THERAPEUTIC USE SANOFI-SYNTHELABO (FR) 2000-03-23 WO disclosed