SCHEMBL4305925

SCHEMBL4305925

C#Cc1ccccc1C(=O)c1ccccc1.c1cc2ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.53
CDC25B P30305 1/20 0.53
AKR1C3 P42330 3/20 0.50
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 2/20 0.47
LMNA P02545 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 4/20 0.45
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA9 Q16790 3/20 0.43
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41
HSP90AA1 P07900 1/20 0.40
PKM P14618 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TLR9 Q9NR96 1/20 0.40

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
SCHEMBL1637254 0.94 AKR1C3 (0.55) ATMCDC25BAKR1C3MAPTMEN1
SCHEMBL4358130 0.88 MAPT (0.56) ATMCDC25BAKR1C3MAPTMEN1
SCHEMBL1746496 0.87 CDC25B (0.47) ATMCDC25BMAPTMEN1KMT2A
SCHEMBL4354387 0.87 CDC25B (0.47) ATMCDC25BMAPTMEN1KMT2A
SCHEMBL402519 0.83 ALDH1A1 (0.50) ATMCDC25BAKR1C3MAPTALDH1A1
SCHEMBL7557424 0.82 NPC1 (0.41) CDC25BAKR1C3MAPTGAARAB9A
Hydrochloric Acid SCHEMBL2707920 0.81 ALDH1A1 (0.48) ATMCDC25BAKR1C3MAPTALDH1A1
SCHEMBL7557427 0.81 AKR1C3 (0.48) ATMCDC25BAKR1C3MAPTMEN1
SCHEMBL13444936 0.81 AKR1C3 (0.59) AKR1C3MAPTMEN1KMT2AGAA
SCHEMBL3611155 0.81 SMN1; SMN2 (0.45) ATMCDC25BAKR1C3MAPTMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582722-B1 Phenylethynylbenzophenone-endcapped hyperbranched poly(arylene-ether-ketone-imides) THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE AIR FORCE (US) 2009-09-01 US claimed
US-5446204-A Enhance density of thermosetting materials THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-08-29 US disclosed
US-5426234-A Compounds which are heat resistant at lower temperatures, but which polymerize at higher temperatures, also as reactive diluents or end groups for crosslinking THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1995-06-20 US disclosed
US-5312994-A Phenylethynyl endcapping reagents and reactive diluents THE UNITED STATES OF AMERICA AS REPRESENTED BY THE ADMINISTRATOR OF THE NATIONAL AERONAUTICS AND SPACE ADMINISTRATION (US) 1994-05-17 US disclosed