SCHEMBL8944496

SCHEMBL8944496

ClCc1cc2ccc3ncccc3c2nc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
CYP3A4 P08684 1/20 0.44
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.38
CCR1 P32246 2/20 0.37
CCR8 P51685 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 3/20 0.36
HTT P42858 2/20 0.36
NR4A2 P43354 2/20 0.36
MEN1 O00255 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BLM P54132 1/20 0.36
HIF1A Q16665 1/20 0.36
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL17099988 0.81 LMNA (0.51) LMNACYP3A4MAPTKDM4EATM
SCHEMBL1586524 0.79 LMNA (0.50) LMNACYP3A4MAPTKDM4EATM
SCHEMBL8944459 0.75 LMNA (0.61) LMNACYP3A4MAPTKDM4ECCR1
SCHEMBL7720171 0.75 ATM (0.49) LMNACYP3A4MAPTKDM4EATM
SCHEMBL8358335 0.75 LMNA (0.42) LMNACYP3A4MAPTKDM4EATM
Phosphoric Acid SCHEMBL29226180 0.74 ATM (0.48) LMNACYP3A4MAPTKDM4EATM
SCHEMBL7715992 0.74 ATM (0.48) LMNACYP3A4MAPTKDM4EATM
SCHEMBL10923942 0.73 LMNA (0.53) LMNACYP3A4MAPTKDM4ECCR1
SCHEMBL462223 0.72 LMNA (0.56) LMNACYP3A4MAPTKDM4ECCR1
SCHEMBL10342775 0.71 CCR1 (0.61) LMNACYP3A4MAPTKDM4ECCR1

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-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
US-4598073-A Certain polycyclo-palladium-bipyridine complexes having anti-tumor activity RESEARCH CORPORATION (US) 1986-07-01 US disclosed