SCHEMBL8944459

SCHEMBL8944459

ClCc1ccc2ccc3ncccc3c2n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.61
CYP3A4 P08684 2/20 0.49
MAPT P10636 3/20 0.48
KDM4E B2RXH2 2/20 0.48
HTT P42858 3/20 0.40
HSP90AA1 P07900 2/20 0.40
HIF1A Q16665 2/20 0.40
MEN1 O00255 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
CCR1 P32246 2/20 0.39
CCR8 P51685 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
MMP2 P08253 1/20 0.39
CYP2D6 P10635 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL28648679 0.83 LMNA (0.61) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL8944497 0.83 LMNA (0.61) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL28653682 0.81 LMNA (0.57) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL28585914 0.81 LMNA (0.57) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL3673030 0.80 LMNA (0.56) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL322128 0.80 LMNA (0.56) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL16678778 0.78 LMNA (0.54) LMNACYP3A4MAPTKDM4EHTR2A
SCHEMBL1669125 0.77 LMNA (0.67) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL7505756 0.77 ALDH1A1 (0.45) LMNACYP3A4MAPTKDM4EHTT
SCHEMBL8313 0.76 LMNA (1.00) LMNACYP3A4MAPTKDM4EHTT

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
US-5545639-A USING 2,9-BIS(HALOMETHYL)-1,10-PHENANTHROLINE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-08-13 US disclosed