SCHEMBL8944463

SCHEMBL8944463

Cc1ccc2ccc3ccc(CCl)nc3c2n1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.62
RAB9A P51151 1/20 0.62
CCR5 P51681 1/20 0.62
METAP2 P50579 1/20 0.42
PARP1 P09874 1/20 0.37
BDKRB2 P30411 1/20 0.36
GLO1 Q04760 2/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
CYP1A2 P05177 3/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
AGTR1 P30556 1/20 0.32
PAX8 Q06710 1/20 0.32
SLC40A1 Q9NP59 1/20 0.32

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
SCHEMBL31648790 0.87 CCR1 (0.56) CCR1RAB9ACCR5PARP1MAPT
SCHEMBL8944345 0.87 CCR1 (0.56) CCR1RAB9ACCR5PARP1MAPT
SCHEMBL13826732 0.81 CCR1 (0.65) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL8944167 0.79 CCR1 (0.75) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL14732999 0.79 CCR1 (0.62) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29367091 0.79 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL124563 0.79 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL29639703 0.79 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
Neocuproine SCHEMBL11672280 0.79 CCR1 (1.00) CCR1RAB9ACCR5METAP2PARP1
SCHEMBL8181932 0.78 CCR1 (0.39) CCR1RAB9ACCR5PARP1KMT2A

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