SCHEMBL7718941

SCHEMBL7718941

CCN(CC)CC.O=C1c2ccccc2C(=O)c2cc(CBr)ccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
RAB9A P51151 5/20 0.64
MAPK1 P28482 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
ALDH1A1 P00352 4/20 0.64
MAPT P10636 3/20 0.64
LMNA P02545 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
CYP1A2 P05177 2/20 0.49
HSP90AB1 P08238 1/20 0.47
ELANE P08246 1/20 0.46
CASP3 P42574 2/20 0.45
SENP8 Q96LD8 2/20 0.45
SENP7 Q9BQF6 2/20 0.45
SENP6 Q9GZR1 2/20 0.45
ATM Q13315 1/20 0.45
PLA2G1B P04054 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL479017 0.89 NPC1 (0.66) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7962565 0.88 MAPK1 (0.63) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL11547344 0.81 NPC1 (0.56) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL15318247 0.80 NPC1 (0.64) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL36840 0.78 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
Anthraquinone SCHEMBL6310187 0.78 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL29352712 0.78 NPC1 (1.00) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11781473 0.77 MAPT (0.50) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL7318179 0.77 NPC1 (0.96) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1
SCHEMBL27590795 0.77 NPC1 (0.96) NPC1RAB9AMAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6383750-B1 GENERATING FREE RADICALS AT RANDOM POSITIONS ALONG POLYMER, REACTING WITH STABLE FREE RADICALS, ATTATCHING FUNCTIONAL LABELLING GROUPS TO STABLE FREE RADICAL DERIVED GROUPS BEFORE OR AFTER REACTION WITH POLYMER CHAIN PREMAXIS TECHNOLOGY VENTURES, INC. (CA) 2002-05-07 US disclosed
EP-1025263-A2 LABELLING OF POLYMERS AND SEQUENCING OF NUCLEIC ACIDS GUILLET, James Edwin (CA) 2000-08-09 EP disclosed
WO-1999022020-A2 LABELLING OF POLYMERS AND SEQUENCING OF NUCLEIC ACIDS GUILLET JAMES E (CA) 1999-05-06 WO disclosed