SCHEMBL12691908

SCHEMBL12691908

CC(C)(C)CN1C2=C3N(CC(C)(C)C)c4ccccc4N3CC(C)(C)CN2c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 2/20 0.31
POLB P06746 1/20 0.31
TP53 P04637 1/20 0.31
HTT P42858 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL12691840 0.78 CYP3A4 (0.37) CYP19A1ALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL29422798 0.74 CYP3A4 (0.43) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL564939 0.74 CYP3A4 (0.43) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL4417199 0.67 MAPT (0.42) CYP19A1ALDH1A1LMNAPOLBHTT
SCHEMBL8109589 0.62 MTNR1A (0.45) ALDH1A1LMNATP53CYP3A4CYP2D6
SCHEMBL7477677 0.62 KMT2A (0.43) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL8397407 0.62 KMT2A (0.43) ALDH1A1LMNAPOLBTP53HTT
SCHEMBL4412748 0.61 CYP19A1 (0.38) CYP19A1ALDH1A1LMNAPOLBCYP3A4
SCHEMBL5000805 0.61 CYP2D6 (0.65) ALDH1A1LMNATP53HTTCYP3A4
SCHEMBL9144592 0.60 GAA (0.41) ALDH1A1LMNAPOLBHTT

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
US-20120241250-A1 Aerial Work Platforms and Aerial Work Platform Assemblies Comprised of Polymerized Cycloolefin Monomers EAKIN GEORGE R (US) 2012-09-27 US disclosed
US-20120241250-A1 Aerial Work Platforms and Aerial Work Platform Assemblies Comprised of Polymerized Cycloolefin Monomers EAKIN GEORGE R (US) 2012-09-27 US disclosed